Theory meets Spectroscopy - Bunsen · Ulrich nienhaus Karlsruhe Institute of Technology/D matthias olzmann Karlsruhe Institute of Technology/D marcell peuckert Infraserv GmbH & Co

www.bunsentagung.de

Bunsentagung 2013

112th general assembly of the german Bunsen society for Physical Chemistry

P r o g r a m m e

Also featuring a special symposium “Electrochemical Interfaces”, an industrial symposium with accompanying exhibition, and the “Karriereforum”

may 09 – 11, 2013 · Karlsruhe · germany

Theory meets Spectroscopy

BunSenTagung 2013 · karlSruhe Theory meeTS SpecTroScopyTheory meeTS SpecTroScopy

2 3

INVITATION 3

COMMITTEES / ORGANISATION 4

EXHIBITION & SPONSORING / MEETINGS OF THE GERMAN BUNSEN SOCIETY 5

PROGRAMME AT A GLANCE 6 – 7

OPENING LECTURE / PLENARY LECTURES / FULL LECTURES 8

LECTURE PROGRAMME 9 – 25

Thursday, May 9, 2013 9

Friday, May 10, 2013 10 – 17

Saturday, May 11, 2013 18 – 25

POSTER PROGRAMME 26 – 38

SOCIAL PROGRAMME 39

GENERAL INFORMATION 40 – 43

Registration fees 40

Registration 40

Payment 40

Cancellation 40

Accommodation 40

Venue 41

How to reach the venue 41

Opening hours on-site conference office 41

Contacts

Conference languages 42

Poster session and poster awards 42

Karriereforum 43

Liquid-crystal exhibition 43

Child care 43

Internet service 43

VENUE OVERVIEw 44 – 45

BunSenTagung 2013 · karlSruhe

main toPiC:

“theory meets spectroscopy”

The main topic of the Bunsentagung 2013 focuses on state-of-the-art research in the fields of theoretical spectroscopy

as well as molecular characterisation using experimental spectroscopy guided by quantum chemistry. This also includes

recent advances in experimental techniques that probe molecules in gas and condensed phases under precisely defined/

controlled conditions as well as new developments in describing such systems theoretically at a predictive level.

There is a long-standing research synergy between molecular spectroscopy and quantum chemistry. Both fields are inter-

ested in eigenstates and how these can be interconverted by electromagnetic radiation. In the last ten years, new experi-

ments have increasingly been stimulated by computational predictions while theoretical approaches have often benefited

from experimental benchmarks. This trend will accelerate further due to recent developments in both theory and spec-

troscopic measurement. Experimental advances include methods which allow for better-defined samples (e.g., mass and

conformer selection of large molecular ions, ultralow temperature cooling schemes, surface immobilization methods, etc.)

and their spectroscopic characterisation at highest frequency and time resolutions. This has in turn enabled spectroscopic

probes and spectroscopic control of chemical change at unprecedented levels of precision − with ramifications for fields

ranging from nanoscience and catalysis to photo- and biophysical chemistry. In the last decades, novel quantum-chemical

methods have been developed at a breathtaking pace, and as such they continue to be developed further. Today, a large

variety of spectra can be simulated, many spectroscopic properties can be computed, larger molecular systems can be

treated than before (e.g., in the framework of density-functional theory), and an extreme accuracy can be achieved (e.g.,

using coupled-cluster theory for rotational spectroscopy). Advanced time-dependent methods have been developed as

well as efficient computational models to describe surface-bound systems and molecules in condensed phases (e.g., QM/

MM methods, embedding schemes, and molecular dynamics simulations). Much recent work has been concerned with

predictive-level treatments of electronically excited states and (non-radiative) transitions.

The main topic of the 112th Bunsentagung seeks to highlight the growing importance of the synergetic interplay between

theory and spectroscopy in advancing the field of molecular chemical physics in the age of Moore´s law. As rapidly increas-

ing computational resources become available, some areas of experiment are already being supplanted by predictive-level

theoretical spectroscopy. Other areas of experimental spectroscopy, concerned with more complex molecular systems,

can presently help to further develop theory by providing benchmarks. Finally, certain areas of molecular spectroscopy

(e.g., under extreme conditions) will remain inaccessible to accurate computational prediction for quite a while yet. Never-

theless, even here useful physical insight will result from quantum-chemical model calculations.

The talks of this symposium are intended to illustrate and further encourage this synergy between modern spectroscopy

and state-of-the-art quantum-chemical calculations − in terms of examples ranging from molecules in gas-phase, through

surface-bound to interacting-in-condensed-phase.

InvItAtIoncontEnts

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Bitte nach Absprache mit Herrn Arnold anpassen. X + ...

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Notiz

Notes46-47


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BunSenTagung 2013 · karlSruhe ExhIbItIon & sponsorIng / mEEtIngs

progrAmmE commIttEE

Wolfgang Domcke TU München, Garching/D

marcus Elstner Karlsruhe Institute of Technology/D

Karin Fink Karlsruhe Institute of Technology/D

Jürgen gauß University of Mainz/D

manfred Kappes Karlsruhe Institute of Technology/D

matthias Kling Max Planck Institute of Quantum Optics, Garching/D

Willem Klopper Karlsruhe Institute of Technology/D

Ulrich nienhaus Karlsruhe Institute of Technology/D

matthias olzmann Karlsruhe Institute of Technology/D

marcell peuckert Infraserv GmbH & Co. Höchst KG, Frankfurt am Main/D

martin Quack ETH Zürich/CH

Dominik samuelis Max Planck Institute for Solid State Research, Stuttgart/D

rolf schäfer TU Darmstadt/D

rolf schuster Karlsruhe Institute of Technology/D

Dusan velic International Laser Centre, Bratislava/SK

manfred Wilhelm Karlsruhe Institute of Technology/D

christof Wöll Karlsruhe Institute of Technology/D

rudolf Zentel University of Mainz/D

scIEntIFIc orgAnIsAtIon

Wolfgang Domcke TU München, Garching/DJürgen gauß University of Mainz/D

manfred Kappes Karlsruhe Institute of Technology/DWillem Klopper Karlsruhe Institute of Technology/D

LocAL orgAnIsAtIon

Artur böttcher Karlsruhe Institute of Technology/Dmarcus Elstner Karlsruhe Institute of Technology/Doliver hampe Karlsruhe Institute of Technology/Dchristoph Jacob Karlsruhe Institute of Technology/Dmanfred Kappes Karlsruhe Institute of Technology/DWillem Klopper Karlsruhe Institute of Technology/DDetlef nattland Karlsruhe Institute of Technology/Dmatthias olzmann Karlsruhe Institute of Technology/D

Detlef schooss Karlsruhe Institute of Technology/Drolf schuster Karlsruhe Institute of Technology/Dthomas steinbrecher Karlsruhe Institute of Technology/DAndreas-neil Unterreiner Karlsruhe Institute of Technology/Dpatrick Weis Karlsruhe Institute of Technology/Dchristof Wöll Karlsruhe Institute of Technology/D

host

Deutsche Bunsen-Gesellschaft für Physikalische Chemie e.V.German Bunsen Society for Physical ChemistryTheodor-Heuss-Allee 2560486 Frankfurt am Main/DPhone: +49 (0)69 7564-621Fax: +49 (0)69 7564-622E-Mail: [email protected]: www.bunsen.de

organisational support by:

DECHEMA e.V., Frankfurt am Main/D KIT – Karlsruhe Institute of Technology/D

Endorsed by Euchems Division of physical chemistry

ExhIbItIon & sponsorIng

Companies are invited to participate at the accompanying exhibition. The exhibition presents a perfect opportunity to inform participants about your products and services and for networking. There are also various sponsoring opportunities available.

If you are interested in either exhibiting or sponsoring, please contact the local organisers directly ([email protected]).

LIst oF ExhIbItors (as of February 10, 2013)

AmEtEK gmbh Meerbusch/D Arbeitsgemeinschaft bunsen-Karriereforum Frankfurt/D belltec Ing. büro glocke wesel/D coherent (Deutschland) gmbh Dieburg/D cosmologic gmbh & co. Kg Leverkusen/D DFg – Deutsche Forschungsgemeinschaft Bonn/D InnoLas Laser gmbh Krailling/D KnF neuberger gmbh Freiburg/D nKt photonics gmbh Köln/D pccp Cambridge/UK perkinElmer LAs (Deutschland) gmbh Rodgau/D prEvAc sp. z o.o. Rogów/PL springer-verlag gmbh Heidelberg/D vAcom vakuum Komponenten & messtechnik gmbh Jena/D vWr International gmbh Fränkisch-Crumbach/D Waters gmbh Eschborn/D Wiley-vch verlag gmbh & co. KgaA weinheim/D WItec gmbh Ulm/D

LIst oF sponsors (as of February 10, 2013)

matecK material-technologie & Kristalle gmbh Jülich/D pccp Cambridge/UK prEvAc sp. z o.o. Rogów/PL thermo Fisher scientific Dreieich/D

FUrthEr FInAncIAL sUpport

FcI Fonds der chemischen Industrie Frankfurt/D KIt – Karlsruhe Institute of technology Karlsruhe/D transregio sFb 88: 3mEt Kaiserslautern/Karlsruhe/D

You can also support the conference via a direct donation to the german bunsen society. please contact mrs Erika Wöhler ([email protected]) for additional information.

commIttEEs / orgAnIsAtIon

mEEtIngs oF thE gErmAn bUnsEn socIEtY

thursday, may 9, 2013

09:00 – 11:00 vorstandssitzung* (nur auf Einladung)

09:00 – 11:00 sitzung der Unterrichtskommission* (nur auf Einladung)

09:00 – 11:00 sitzung der themenkommission* (nur auf Einladung)

11:00 – 14:00 sitzung des ständigen Ausschusses* (nur auf Einladung)

11:30 – 14:45 Karriereforum* Thema: „Anträge, Stipendien, Nachwuchsgruppe – Fördermöglichkeiten für Nachwuchswissenschaftler“

15:00 – 16:15 ordentliche mitgliederversammlung* (nur für Mitglieder der DBG)

*in german only

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Einfügen: Visolas GmbHEggenstein-Leopoldshafen/D

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BunSenTagung 2013 · karlSruhe Theory meeTS SpecTroScopyTheory meeTS SpecTroScopyBunSenTagung 2013 · karlSruhe progrAmmE At A gLAncEprogrAmmE At A gLAncE


11:30 Karriereforum* – Room: CRIEGEE (see page 43)

15:00 ordentliche mitgliederversammlung* (nur für Mitglieder der DBG)

* in German only

auDimaX

16:30 OPENING CEREMONY

18:00 oPeNiNG LeCTure: m. ashfold

19:30 WeLCome reCePTioN – Room: Festsaal Studentenwerk KIT (see page 39)

Friday, may 10, 2013

8:30 - 9:15 auDimaX PLeNary LeCTure: D. marx – Chair: M. Peuckert

auDimaX HÖrSaaL i CrieGee HÖrSaaL ii aoC 101 HÖrSaaL iii Neuer CHemieHÖrSaaL

Theory meets Spectroscopy (main topic)

Interfaces Industrial Symposium Gaseous State Biophysical

Chemistry

Joint Session Solid State/

Electrochemical Interfaces

Physical-Chemical Methods

Chair: M. Kappes Y. Joseph M. Wilhelm M. Olzmann U. Nienhaus R. Schuster E. Goos

9:20 - 9:40 fuLL LeCTure T. rizzo

T. Lenzer P. Zänker M. Gaffga J. Seeliger fuLL LeCTureB. roling

T. Benzler

9:40 - 10:00 C. Raschpichler N. Schirmel A. Meister P. Patoka

10:00 - 10:20 C. Baldauf A. Sarfraz M. Schmidt B. Kieling A. Hädicke J. Popovic M. Hippler

10:20 - 10:40 K. Schwing F. Heib J. Giegerich S. Kapoor P. Bottke J. Bredenbeck

10:40 - 11:00 Coffee Break

Chair: J. Sauer J.P. Hofmann M. Wilhelm J.-U. Grabow G. Jung B. Roling J. Bredenbeck

11:00 - 11:20 fuLL LeCTure B. mennucci

fuLL LeCTureG. friedrichs

T. Hofe S. Trippel M. Drescher A. Kuhn X. Stammer

11:20 - 11:40 T.M. Bernhardt T. Kottke D. Samuelis C. Hess

11:40 - 12:00 C. Allolio M. Pedio N. Nestle J.R. Meyer A. Garrone N. Ohmer E. Barsch

12:00 - 12:20 A. Klamt S. Waschke I. Vittorias D. Schooss O. Weingart M. Kaus M. Eichelbaum

12:20 - 13.30 Lunch Break

13:30 - 14:15 auDimaX PLeNary LeCTure: T. Brixner – Chair: M. Quack


Interfaces Industrial Symposium Gaseous State Biophysical

ChemistryElectrochemical

Interfaces


Chair: M. Quack K. Al-Shamery O. Deutschmann A. Fielicke T. Kottke A. Kuhn M. Hippler

14:20 - 14:40 F. Kollipost A. Kerth T. Mäurer G. Lendvay fuLL LeCTurem. Havenith

R. Chen F. Stolz

14:40 - 15:00 H. Köppel M. Laurin A. Lucassen M. Mutke C. Riehn

15:00 - 15:20 N. Heine B. Mosebach M. Votsmeier fuLL LeCTure T. Zeuch

S. Heuke B. Horstmann A. Vollmer

15:20 - 15:40 M. Stein F. Leroy P.A. Neff F. Schinle S.L. Koch N. Olichwer



Interfaces Industrial Symposium Solid State Biophysical

ChemistryElectrochemical

Interfaces


Chair: W. Klopper C. Wöll M. Peuckert D. Samuelis B. Luy R. Schuster A. Köhn

16:00 - 16:20 fuLL LeCTure J.f. Stanton

C. Azucena H.J. Limbach R.A. De Souza M. Mischo fuLL LeCTureP. allongue

F.M. Kuhn

16:20 - 16:40 C. Amiri Naini J. Keppner A. Fogarty P. Goel

16:40 - 17:00 S. Thorwirth L. Schade J. Lacayo R. Merkle C. Czeslik E. Steyskal T. Körzdörfer

17:00 - 17:20 N.O.B. Lüttschwager O. Armbruster R. Dolle A.-M. Kreuziger A. Lahiri S. Irle

17:20 - 17:40 G. Rauhut W. Kautek M. Luft G. Gregori S.C. Salmen F. Theil A. Bande

17:40 - 18:00 M. Bauer C. Graf P. Gaczynski M. Hanke W.E. Gomes M. Lewerenz

18:00 - 22:00 Poster Session (see page 42)

saturday, may 11, 2013

8:30 - 9:15 auDimaX PLeNary LeCTure: f. Neese – Chair: W. Domcke

auDimaX HÖrSaaL i CrieGee HÖrSaaL ii aoC 101 HÖrSaaL iii Neuer CHemieHÖrSaaL


InterfacesTheory meets Spectroscopy (main topic)

Solid State Soft Matter Electrochemical Interfaces Hot Topics

Chair: W. Domcke A. Turchanin A. Bande E. Bucher C. Czeslik B. Horstmann M. Quack

9:20 - 9:40 fuLL LeCTure m. Kawai

A. Hertwig B. Helmich A.K. Opitz S. Seiffert fuLL LeCTurem. rohwerder

S. Albert

9:40 - 10:00 Y. Joseph R.A. Mata A. Düvel B. Engels P. Kraus

10:00 - 10:20 C. Ochsenfeld H. Gliemann M.-O. Winghart D. Budina L. Chiappisi A. Erbe P.M. Clawin


Chair: M.Schnell W. Kautek G. Rauhut G. Gregori S. Seiffert C. Roth R. Schäfer

10:40 - 11:00 fuLL LeCTure C. Puzzarini

B. Kern D. Friese M. Springborg E. Voyiatzis fuLL LeCTureT. Jacob

J.P. Hofmann

11:00 - 11:20 J.M. Gottfried R. Ludwig B. Herd S. Eisenhaber N. Rühl

11:20 - 11:40 J.-U. Grabow C. Heine M. Thomas H.W. Pereira de Carvalho

J. Liu P.U. Biedermann K.-H. Ernst

11:40 - 12:00 V.A. Shubert J. Behler L. Horny T. Hertel M. Stadler L. Wittern P. Angelova

12:00 - 12:20 H. Mouhib S. Schauermann O. Steinhauser M. Müller N. Kapernaum H. Natter S. Nayak

12:20 - 13:30 Lunch Break

13:30 - 14:15 auDimaX PLeNary LeCTure: m. Wolf – Chair: J. Gauß



Solid State Liquid State Electrochemical Interfaces

Joint Session DFG Funding / DBG Awards

Chair: J. Gauß K. Fink M. Springborg W. von Rybinski R. Merkle M. Peuckert

14:20 - 14:40 fuLL LeCTure B. abel

A. Kelterer M. Scheuermann K.R. Siefermann F. Yang J. Kowol-SantenK. Winkler 14:40 - 15:00 A. Köhn H. Schlicke G. Schwaab S. Schulze

15:00 - 15:20 A. Fielicke T.N.V. Karsili J. Kolny-Olesiak P. Stange V. Metlenko aWarD LeCTureBunsen-

Denkmünze

15:20 - 15:40 D. Egorova A. Kushnarenko B. Voß B. Finkler E. Bucher aWarD LeCTureNernst-Haber-

Bodenstein-Prize15:40 - 16:00 D. Ehmer K. Dulitz E. Redel C. Weinert S. Stämmler

auDimaX

16:00 - 17:00 Poster Awards and Closing CeremonyChair: M. Peuckert

18:00 ZKM Guided Tour

19:00 Conference Dinner at ZKM (see page 39)

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Lunch Break (12:30 - 13:15 Mitgliederversammlung AG Bunsen-Karriereforum)

8 9


AUDImAx

Chair: M. Peuckert

16:30 – 18:00 opEnIng cErEmonY

Award ceremony:

Award of the nernst-haber- bodenstein-prize

Award of the bunsen-Denkmünze

18:00 – 18:45 opening Lecturecomparing molecular photofragmentation dynamics in the gas and liquid phases

M. Ashfold, University of Bristol/UK

19:30 – 22:00 Welcome receptionFestsaal Studentenwerk KIT

BunSenTagung 2013 · karlSruhe Theory meeTS SpecTroScopyTheory meeTS SpecTroScopyBunSenTagung 2013 · karlSruhe LEctUrE progrAmmEopEnIng LEctUrE / pLEnArY LEctUrEs / FULL LEctUrEs

opEnIng LEctUrE

thursday, may 9, 2013 18:00 – 18:45 comparing molecular photofragmentation dynamics in the gas and liquid phases

Mike Ashfold (University of Bristol/UK)

pLEnArY LEctUrEs


8:30 – 9:15 theoretical spectroscopy from molecular dynamics Dominik Marx (Ruhr University Bochum/D)

13:30 – 14:15 multidimensional spectroscopy of photophysics and photochemistry Tobias Brixner (University of würzburg/D)


8:30 – 9:15 Insights into transition metal catalysis from a combination of spectroscopy and quantum chemistry Frank Neese (Max Planck Institute for Chemical Energy Conversion, Mülheim an der Ruhr/D)

13:30 – 14:15 Interfacial charge transfer dynamics and femtochemistry of molecular adsorbates Martin wolf (Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin/D)

FULL LEctUrEs


9:20 – 10:00 Ir and Uv spectra of cold, biomolecular ions – A challenge for theory Thomas Rizzo (École Polytechnique Fédérale de Lausanne/CH)

9:20 – 10:00 Ionic liquid/metal electrode interfaces: capacitive processes on different time scales and influence of temperature on interfacial dynamics Bernhard Roling (University of Marburg/D)

11:00 – 11:40 modeling environment effects on spectroscopies through Qm/classical models Benedetta Mennucci (University of Pisa/I)

11:00 – 11:40 surface sensitive non-linear laser spectroscopy for environmental chemistry research Gernot Friedrichs (University of Kiel/D)

14:20 – 15:00 the thz dance of water with bio-molecules Martina Havenith (Ruhr University Bochum/D)

15:00 – 15:40 From the elementary chemical step to detailed and reduced mechanisms. Kinetics of partially oxidized intermediates Thomas Zeuch (University of Göttingen/D)

16:00 – 16:40 twenty years of battle with the no3 molecule: some things that I have learned John Stanton (University of Texas at Austin/USA)

16:00 – 16:40 Ultrathin magnetic films: the power of electrochemistry Philippe Allongue (CNRS, Palaiseau/F)


9:20 – 10:00 Evolution of Kondo resonance from a single impurity molecule to the two-dimensional lattice Maki Kawai (University of Tokyo/J)

9:20 – 10:00 Electrochemistry of metal surfaces under nanoscopic electrolyte layers Michael Rohwerder (Max-Planck-Institut für Eisenforschung, Düsseldorf/D)

10:40 – 11:20 rotational spectroscopy meets theory Cristina Puzzarini (University of Bologna/I)

10:40 – 11:20 theoretical studies on the electrode/electrolyte interface Timo Jacob (University of Ulm/D)

14:20 – 15:00 Ultrafast soft x-ray photoelectron spectroscopy at liquid water microjets Bernd Abel (University of Leipzig/D)

10 11

BunSenTagung 2013 · karlSruhe Theory meeTS SpecTroScopyTheory meeTS SpecTroScopyLEctUrE progrAmmE LEctUrE progrAmmEBunSenTagung 2013 · karlSruhe

Friday, may 10, 2013 Friday, may 10, 2013AUDImAx AUDImAx

Chair: M. Peuckert Chair: M. Peuckert

8:30 pLEnArY LEctUrE: theoretical spectroscopy from molecular dynamics

D. Marx, Ruhr University Bochum/D

pLEnArY LEctUrE: theoretical spectroscopy from molecular dynamics


8:30

AUDImAx hÖrsAAL I crIEgEE hÖrsAAL II

theory meets spectroscopy (main topic) interfaces industrial symposium gaseous stateChair: M. Kappes Chair: Y. Joseph Chair: M. Wilhelm Chair: M. Olzmann

9:20 Full leCtureIr and Uv spectra of cold, biomolecular ions – A challenge for theoryT. Rizzo, École Polytechnique Fédérale de Lausanne/CH

observation of a transient stark effect for the indoline dye D149 on electrodeposited Zno and sintered Zro2 and tio2 thin filmsT. Lenzer, K. Oum, P.w. Lohse, O. Flender, J.R. Klein, Univer-sity of Siegen/D; M. Scholz, MPI für biophysikalische Chemie, Göttingen/D; J. Du, T. Oekermann, University of Hanover/D

Detection of explosives by x-ray transmission and other technologiesP. Zänker, Smiths Heimann GmbH, wiesbaden/D

two color enhanced Ir spectroscopy of oligonucelar transition metal complexesM. Gaffga, F. Menges, Y. Nosenko, C. Riehn, G. Niedner-Schatteburg, TU Kaiserslautern/D

9:20

9:40 Ultraschnelle relaxationsdynamik von sio2 nanopartikeln nach Anregung im vakuum-Uv bereichC. Raschpichler, I. Halfpap, H. Bahro, A. Dorssers, V. Mondes, B. Langer, J. Plenge, E. Rühl, Freie University of Berlin/D; A. Sarfraz, Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf/D; R. Posner, K. Lill, Henkel AG & Co KGaA, Düsseldorf/D; A. Erbe, Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf/D

the formation of fragment ions (h+, h3+, ch3

+) from ethane in intense femtosecond laser fields – From understanding to controlN. Schirmel, N. Reusch, P. Horsch, K.-M. weitzel, University of Marburg/D

9:40

10:00 how cations change peptide structure – Insights from theoretical and experimental infrared spectroscopyC. Baldauf, K. Pagel, S. warnke, G. von Helden, Fritz-Haber- Institut der MPG, Berlin/D; B. Koksch, Freie Universität Berlin/D; V. Blum, M. Scheffler, Fritz-Haber-Institut der MPG, Berlin/D

Zirconium oxide based conversion layers on aluminum alloys: role of intermetallics A. Sarfraz, Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf/D; R. Posner, K. Lill, Henkel AG & Co KGaA, Düsseldorf/D; A. Erbe, Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf/D

science behind consumer products: physics, chemistry and modeling of diapers and superabsorbersM. Schmidt, Procter & Gamble Service GmbH, Schwalbach am Taunus/D

photoionization and photodissociation of halogenated sulfur compoundsB. Kieling, L. Fechner, B. Langer, F. Gerke, R. Flesch, E. Rühl, Freie Universität Berlin/D

10:00

10:20 Excited state proton transfer reactions in isolated hydroxy-chromones investigated by different Ir/Uv techniquesA. Stamm, M. weiler, A. Brächer, K. Schwing, M. Gerhards, TU Kaiserslautern/D

critical contact angles on vertical and inclined surfaces: An experimental investigationM. Schmitt, F. Heib, Saarland University, Saarbrücken/D

the photodissociation dynamics of the ethyl radical, c2h5, investigated by velocity map imagingJ. Giegerich, M. Steinbauer, K.H. Fischer, I. Fischer, University of würzburg/D

10:20

10:40 COFFEE BREAK COFFEE BREAK 10:40

Chair: J. Sauer Chair: J.P. Hofmann Chair: M. Wilhelm Chair: J.-U. Grabow

11:00 Full leCturemodeling environment effects on spectroscopies through Qm/classical modelsB. Mennucci, University of Pisa/I

Full leCturesurface sensitive non-linear laser spectroscopy for environmental chemistry researchG. Friedrichs, University of Kiel/D

switchable ultrahydrophobic polymer surfaces – synthesis, characterization and applicationT. Hofe, PSS Polymer Standards Service GmbH, Mainz/D; A. Rollberg, Leibniz Institute of Polymer Research Dresden/D; K. Oleschko, PSS Polymer Standards Service GmbH, Mainz/D; M. Stamm, P. Uhlmann, Leibniz Institute of Polymer Research Dresden/D; T. Beskers, PSS Polymer Standards Service GmbH, Mainz/D; M. wilhelm, Karlsruhe Institute of Technology/D

molecular dynamics and non-adiabatic effects probed via strong-field ionization of state- and isomer-selected molecules fixed in spaceS. Trippel, T. Mullins, N. Müller, J. Kienitz, K. Dlugolecki, J. Küpper, DESY, Hamburg/D

11:00

11:20 Low temperature co oxidation catalyzed by free palladium clusters: similarities and differences to pd surfaces and supported particlesS.M. Lang, I. Fleischer, T.M. Bernhardt, University of Ulm/D

11:20

11:40 Excited state solvation dynamics of a reichardt type dye: Water reorientation, chromophore and hydrogen bondingC. Allolio, Universität Halle-wittenberg, Halle (Saale)/D; M. Sajadi, N.P. Ernsting, Humboldt-Universität zu Berlin/D; D. Sebastiani, Universität Halle-wittenberg, Halle (Saale)/D

spectroscopic studies and electronic properties of the ptmtc open-shell organic moleculesV. Mugnaini, M. Oliveros, M. Gonidec, I. Alcon, J. Veciana, ICMAB-CSIC, Barcelona/E; R. Ovsyannikov, A. Vollmer, HZB-Bessy II, Berlin/D; A. Calzolari, CNR-Nano, Modena/I; C. Cepek, S. Bhardwaj, M. Kumar, M. Pedio, CNR-IOM, Trieste/I

time domain nmr studies of industrially relevant processes in polymeric materialsN. Nestle, F. Quero, P. Martin, E. wassner, BASF SE, Ludwigshafen/D; H. Herold, E. Hardy, Karlsruher Institut für Technologie (KIT)/D

one and two colour IrmpD-spectra of cold tetranuclear cobalt cluster complexes with carbonyl and bis(diphenylphosphino)amino ligandsJ.R. Meyer, M. Gaffga, T. Kolling, J. Mohrbach, G. Niedner-Schatteburg, TU Kaiserslautern/D

11:40

12:00 A quantum chemically based model describing enthalpies and free energies of ~300 hydrogen-bond complexes measured by FtIr spectrometryA. Klamt, J. Reinisch, F. Eckert, COSMOlogic GmbH & Co KG, Leverkusen/D; J. Graton, J.Y. Le Questel, Université de Nantes/F

In situ confocal raman spectroscopy of the crystallization of polypropylene in interface near regionsS. waschke, C. Kunze, University of Paderborn/D; M. to Baben, J.M. Schneider, RwTH Aachen/D

Flow-induced crystallization in polyolefins: A study using non-linear rheologyI. Vittorias, Basell Polyolefine GmbH, Frankfurt/D

on the structure of 55 atom transition metal clusters and their relation to the bulkD. Schooss, T. Rapps, E. waldt, R. Ahlrichs, M.M. Kappes, Karlsruher Institut für Technologie/D

12:00

12:20 LUNCH BREAK LUNCH BREAK 12:20AUDImAx AUDImAx

Chair: M. Quack Chair: M. Quack

13:30 –14:15

pLEnArY LEctUrE: multidimensional spectroscopy of photophysics and photochemistry

T. Brixner, University of würzburg/D



13:30 –14:15

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LUNCH BREAK (12:30 - 13:15 Mitgliederversammlung AG Bunsen-Karriereforum)

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Friday, may 10, 2013 Friday, may 10, 2013AUDImAx AUDImAx


8:30 pLEnArY LEctUrE: theoretical spectroscopy from molecular dynamics


pLEnArY LEctUrE: theoretical spectroscopy from molecular dynamics


8:30

Aoc 101 hÖrsAAL III nEUEr chEmIEhÖrsAAL

Biophysical Chemistry Joint session solid state / electrochemical interfaces

Physical-Chemical methods

Chair: U. Nienhaus Chair: R. Schuster Chair: E. Goos

9:20 macromolecular crowding stabilizes the functional, non-toxic state of IApp by suppressing its fibrillationJ. Seeliger, A. werkmüller, R. winter, TU Dortmund/D

Full leCtureIonic liquid/metal electrode interfaces: capacitive processes on different time scales and influence of temperature on interfacial dynamicsM. Drüschler, B. Roling, University of Marburg/D; N. Borisenko, F. Endres, TU Clausthal/D; R. Atkin, University of Newcastle, Callaghan/AUS

Low-pressure effective fluorescence lifetimes of single- and two-ring aromatics and their implication for model developmentT. Benzler, S. Faust, T. Dreier, C. Schulz, Universität Duisburg-Essen, Duisburg/D

9:20

9:40 membrane interaction and curvature generation by the coat protein complex I gtpase Arf1pA. Meister, S. Daum, K. Bacia, Universität Halle-wittenberg, Halle (Saale)/D

near-field imaging and nano-fourier-transform infrared spectroscopy using broadband synchrotron radiationP. Patoka, Freie Universität Berlin/D; P. Hermann, A. Hoehl, Physikalisch-Technische Bundesanstalt, Berlin/D; E. Rühl, Freie Universität Berlin/D; G. Ulm, Physikalisch-Technische Bundesanstalt, Berlin/D

9:40

10:00 Interactions of short cationic peptides with bilayer membranes and monolayersA. Hädicke, C. Schwieger, A. Blume, University of Halle- wittenberg, Halle (Saale)/D

“soggy sand” lithium battery electrolytes: heterogeneous doping for enhanced Li+ conductivityJ. Popovic, C. Pfaffenhuber, J. Maier, Max Planck Institute for Solid State Research, Stuttgart/D

cavity-enhanced resonant photoacoustic and raman spectroscopy for trace gas analysis and high-resolution spectroscopyM. Hippler, University of Sheffield/UK

10:00

10:20 pressure perturbation of membrane association and intervesicle transfer of lipidated ras proteinsS. Kapoor, A. werkmüller, TU Dortmund/D; R.S. Goody, H. waldmann, Max Planck Institute of Molecular Physiology, Dortmund/D; R. winter, TU Dortmund/D

Extremely slow Li exchange processes in diamagnetic Li2Zro3 followed by 6Li 2D ExsY nmrP. Bottke, M. wilkening, TU Graz/A

Electronically enhanced 2D-Ir spectroscopy: chemical exchange beyond the vibrational lifetime and sub-ensemble selective photochemistryL.J.G.w. van wilderen, A.T. Messmer, J. Bredenbeck, Universität Frankfurt/D

10:20


Chair: G. Jung Chair: B. Roling Chair: J. Bredenbeck

11:00 mechanism of multivalent carbohydrate-protein interactions studied by Epr spectroscopyM. Drescher, Universität Konstanz/D

structure and dynamics of the tetragonal Lgps superionic conductor Li7geps8A. Kuhn, B.V. Lotsch, Max-Planck-Institut für Festkörper-forschung, Stuttgart/D

Ft-Ir spectroscopy in ultrahigh vacuum: surface science approach for understanding reactions on catalytic oxide powdersX. Stammer, Bruker Optik GmbH, Ettlingen/D; M. Buchholz, S. Heißler, Ch. wöll, Karlsruher Institut für Technologie, Eggenstein-Leopoldshafen/D

11:00

11:20 Uv/vis and Ft-Ir spectroscopy reveal how flavin acts as a red light sensor in a cryptochrome blue light receptorM. Spexard, S. Kakorin, T. Kottke, Universität Bielefeld/D; B. Beel, K. Prager, M. Mittag, Universität Jena/D

Defect chemistry-based optimization of oxygen deficient nano anatase anodes for lithium ion batteriesD. Samuelis, J.-Y. Shin, J. Maier, Max Planck Institute for Solid State Research, Stuttgart/D

monitoring gas sensors at work: Operando raman-FtIr study of ethanol detection by indium oxideS. Sänze, A. Gurlo, C. Hess, TU Darmstadt/D

11:20

11:40 Light makes it work. studies on the molecular reaction dynamics of the enzyme nADph: protochlorophyllide-oxidoreductase at ultrafast time scaleA. Garrone, S. Fey, University of Jena/D; J. Schäfer, Institute of Photonic Technology Jena e.V./D; G. Hermann, University of Jena/D; B. Dietzek, Institute of Photonic Technology Jena e.V./D

nanoporous n-type silicon as anode for Li-ion batteriesN. Ohmer, Max Planck Institute for Solid State Research, Stuttgart/D; S. Klingbeil, University of Stuttgart/D; M. Reuter, Steinbeis Center Photovoltaics, Stuttgart/D; D. Samuelis, J. Maier, Max Planck Institute for Solid State Research, Stuttgart/D; J.H. werner, Uni-versity of Stuttgart and Steinbeis Center Photovoltaics, Stuttgart/D

A millisecond time-resolved infrared-spectroscopy – mechanistic study on the dehydrogenation of formic acidE. Barsch, D. Mellmann, Leibniz-Institut für Katalyse e.V., Rostock/D; M. Bauer, TU Kaiserslautern/D; H. Junge, Leibniz-Institut für Katalyse e.V., Rostock/D; R. Ludwig, Universität Rostock/D

11:40

12:00 Wavepacket splitting and two-component deactivation in excited isorhodopsinO. weingart, Universität Düsseldorf/D; E. Poli, University of Liverpool/UK; M. Garavelli, Ecole Normale Supérieure de Lyon/F; D. Polli, D. Brida, C. Manzoni, G. Cerullo, Politecnico di Milano/I; K.M. Spillane, P. Kukura, University of Oxford/UK; R.A. Mathies, University of California at Berkeley/USA

preparation and characterization of phospho-olivines as cathode materials for Li-ion batteriesM. Kaus, I. Issac, R. Heinzmann, S. Mangold, V.S.K. Chakravadhanula, H. Hahn, S. Indris, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen/D

the relation between interfacial charge transport and performance of oxidation catalysts studied with in situ microwave techniquesM. Eichelbaum, C. Heine, A. Trunschke, R. Schlögl, Fritz-Haber-Institut der MPG, Berlin/D

12:00

12:20 LUNCH BREAK LUNCH BREAK 12:20AUDImAx AUDImAx

Chair: M. Quack Chair: M. Quack

13:30 –14:15



pLEnArY LEctUrE: multidimensional spectroscopy of photophysics

and photochemistryT. Brixner, University of würzburg/D

13:30 –14:15

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Friday, may 10, 2013 Friday, may 10, 2013AUDImAx hÖrsAAL I crIEgEE hÖrsAAL II

theory meets spectroscopy (main topic) interfaces industrial symposium gaseous stateChair: M. Quack Chair: K. Al-Shamery Chair: O. Deutschmann Chair: A. Fielicke

14:20 Anharmonicity in hydrogen bonded clusters: Experimental benchmarks for oh stretching overtones and librationsF. Kollipost, K. Papendorf, Universität Göttingen/D; R. wugt Larsen, TU of Denmark, Lyngby/DK; M.A. Suhm, Universität Göttingen/D

polymer films at the air/water interface studied with infrared reflection absorption spectroscopy (IrrAs)A. Kerth, Universität Halle-wittenberg, Halle (Saale)/D; G. Brezesinski, Max-Planck-Institut für Kolloid- und Grenzflächen forschung, Potsdam/D; A. Blume, Universität Halle-wittenberg, Halle (Saale)/D

high throughput experimentation: tackling future energy challenges with highly efficient r&D toolsT. Mäurer, hte AG, Heidelberg/D

A comparative theoretical study of the kinetics and dynamics of the reaction of h atoms with ground-state and excited o2P. Szabó, University of Pannonia, Veszprém/H; G. Lendvay, Institute for Materials and Environmental Chemistry, Budapest/H

14:20

14:40 vibronic coupling and quenching of excitonic splittings in h-bonded molecular dimersH. Köppel, S. Kopec, Universität Heidelberg/D; P. Ottiger, S. Leutwyler, Universität Bern/CH

Imidazolium-based ionic liquids interacting with ordered cerium dioxide surfaces: A synchrotron-radiation photoelectron spectroscopy studyM. Laurin, Y. Lykhach, S. Schernich, N. Taccardi, V. wagner, P. wasserscheid, H.-P. Steinrück, J. Libuda, FAU Erlangen-Nürn-berg, Erlangen/D; N. Tsud, T. Skála, V. Matolín, Charles University, Prague/CZ; K. Prince, Sincrotrone Trieste/I

mass spectrometry in flames: combustion chemistry of iso-pentanol as next-generation biofuelA. Lucassen, J. warkentin, N. Hansen, Sandia National Laboratories, Livermore/USA; S.w. Park, M. Sarathy, King Abdullah University of Science and Technology, Thuwal/SAR

14:40

15:00 vibrational spectroscopy of the atmospherically relevant clusters no3

¯(hno3)m(h2o)nN. Heine, Fritz-Haber-Institut der MPG, Berlin/D; T. Yacovitch, University of California, Berkeley/USA; C. Brieger, T. wende, Fritz-Haber-Institut der MPG, Berlin/D; C. Hock, University of California, Berkeley/USA; K. Asmis, Fritz-Haber-Institut der MPG, Berlin/D; D. Newmark, University of California, Berkeley/USA

Untersuchung der molekularen Adhäsion von phosphon-säuren auf Aluminiumoxid-oberflächen durch AFm basierte EinzelmolekülkraftspektroskopieB. Ozkaya, B. Mosebach, G. Grundmeier, Universität Paderborn/D

40 Jahre Autoabgaskatalyse-Forschung: Wie die Katalysator-Entwicklung heute von physikalisch- chemischem grundlagenwissen profitiertM. Votsmeier, Umicore AG & Co. KG, Hanau/D

Full leCtureFrom the elementary chemical step to detailed and reduced mechanisms. Kinetics of partially oxidized intermediatesT. Zeuch, University of Göttingen/D

15:00

15:20 the electronic structure and spin density distribution in bio-mimetic mixed-valence complexesM. Stein, Max-Planck-Institut für Dynamik komplexer technischer Systeme, Magdeburg/D; T.B. Rauchfuss, University of Illinois, Urbana/USA

the wetting properties of graphene in the light of molecular dynamics simulationsF. Leroy, F. Taherian Tabasi, V. Marcon, N.F.A. van der Vegt, TU Darmstadt/D

Automotive exhaust gas sensing – current trendsP.A. Neff, Robert Bosch GmbH, Stuttgart/D

15:20


theory meets spectroscopy (main topic) interfaces industrial symposium solid stateChair: W. Klopper Chair: C. Wöll Chair: M. Peuckert Chair: D. Samuelis

16:00 Full leCturetwenty years of battle with the no3 molecule: some things I have learnedJ.F. Stanton, University of Texas at Austin/USA

bottom-up assembly of tobacco mosaic virus-derived nucleoprotein tubes on defined patterns on silica- and polymer-based substratesC. Azucena, Karlsruhe Institute of Technology/D; F.J. Eber, University of Stuttgart/D; V. Trouillet, M. Hirtz, S. Heißler, M. Franzreb, H. Fuchs, Karlsruhe Institute of Technology/D; C. wege, University of Stuttgart/D; H. Gliemann, Karlsruhe Institute of Technology/D

simulation of crystallization processes in the food industryH.J. Limbach, Nestlé Research Center, Lausanne/CH; K. Koschke, D. Donadio, K. Kremer, MPI Polymer Research, Mainz/D

Activation volume tensor for oxygen vacancy migration in strained ceo2 electrolytesJ. Hinterberg, T. Zacherle, A.H.H. Ramadan, R.A. De Souza, RwTH Aachen University/D

16:00

16:20 Intrinsic switching thermodynamics and kinetics of ultrathin thermoresponsive polymer brushes in halide solutionsC. Amiri Naini, M. Thomas, S. Franzka, S. Frost, M. Ulbricht, N. Hartmann, Universität Duisburg-Essen, Essen/D

Analysis of strain states in YsZ/rare earth oxide multilayers and their effect on interfacial ionic conductivity and diffusionJ. Keppner, C. Korte, J. Schubert, w. Zander, M. Ziegner, Forschungszentrum Jülich GmbH/D; D. Hesse, Max Planck Institut für Mikrostrukturphysik, Halle/D

16:20

16:40 high-resolution spectroscopy of carbon clusters harboring heavy elementsS. Thorwirth, Universität zu Köln/D

photothermal laser processing of titania nanoparticle filmsL. Schade, S. Franzka, Universität Duisburg-Essen, Essen/D; S. Hardt, H. wiggers, Universität Duisburg-Essen, Duisburg/D; N. Hartmann, Universität Duisburg-Essen, Essen/D

Filler dispersion in elastomers: transmission electron microscopy and space statisticsJ. Lacayo, Continental Reifen Deutschland GmbH, Hannover/D

comparative analysis of oxygen mobility in (La,sr)(co,Fe)o3-d and (ba,sr)(co,Fe)o3-d perovskites based on ab initio modelingR. Merkle, Max Planck Institute for Solid State Research, Stuttgart/D; Y.A. Mastrikov, Institute for Solid State Physics, Riga/LV; E.A. Kotomin, Max Planck Institute for Solid State Research, Stuttgart/D; M.M. Kuklja, University of Maryland/USA; J. Maier, Max Planck Institute for Solid State Research, Stuttgart/D

16:40

17:00 the last globally stable extended alkaneN.O.B. Lüttschwager, T.N. wassermann, R. Mata, M.A. Suhm, Universität Göttingen/D

the role of surface energy on the formation of high spatial frequency laser-induced periodic surface structuresO. Armbruster, M. Lovric, w. Kautek, Universität wien/A

conductivity of pure and cation doped ca12Al14o33- dR. Dolle, H.-D. wiemhöfer, Universität Münster/D; J.-P. Eufinger, D.-K. Lee, J. Janek, Universität Gießen/D; H. Krause, S. Ebbinghaus, Universität Halle-wittenberg, Halle (Saale)/D

17:00

17:20 the interplay of electronic and vibrational structure calculations needed for an accurate simulation of infrared spectraG. Rauhut, University of Stuttgart/D

mechanistic study of the pulse laser induced particle separation from polymer surfacesS. Arif, O. Armbruster, w. Kautek, Universität wien/A

Analysis of polymer coatings and laminates by automated FtIr microscopyM. Luft, M. Boese, Bruker Optik GmbH, Ettlingen/D

Electrical conductivity of ceo2: size mattersG. Gregori, M.C. Göbel, M. Shirpour, R. Merkle, J. Maier, Max-Planck-Institut für Festkörperforschung, Stuttgart/D

17:20

17:40 the chemical sensitivity of x-ray spectroscopy: high energy resolution xAnEs versus valence-to-core x-ray emission spectroscopyA. Atkins, C. Jacob, Karlsruher Institut für Technologie/D; M. Bauer, TU Kaiserslautern/D

highly improved stability of naked gold nanoparticles by in situ coating with mono and multivalent thiol pEg ligandsB. Stein, Freie Universität Berlin/D; D. Zopes, S. Mathur, Universität zu Köln/D; C. Graf, Freie Universität Berlin/D

A high-temperature mössbauer study of iron-doped ruddlesden-popper phases Lan+1nino3n+1P. Gaczynski, TU Braunschweig/D; T. Klande, A. Feldhoff, Leibniz Universität Hannover/D; K.-D. Becker, TU Braunschweig/D

17:40

18:00 –22:00

postEr sEssIon postEr sEssIon18:00 –22:00

16 17


Friday, may 10, 2013 Friday, may 10, 2013Aoc 101 hÖrsAAL III nEUEr chEmIEhÖrsAAL

Biophysical Chemistry electrochemical interfaces Physical-Chemical methodsChair: T. Kottke Chair: A. Kuhn Chair: M. Hippler

14:20 Full leCturethe thz dance of water with bio-moleculesM. Havenith, Ruhr University Bochum/D

Li-rich spinel Li1+xFetio4 as cathode materials for Li-ion batteriesR. Chen, R. Heinzmann, R. witte, S. Lebedkin, H. Hahn, S. Indris, Karlsruher Institut für Technologie/D

Liquid beam ion desorption mass spectrometry for evaluating cAssInI dataF. Stolz, Universität Leipzig/D; R. Reviol, Universität Heidelberg/D; R. Srama, Universität Stuttgart/D; M. Trieloff, F. Postberg, Universität Heidelberg/D; B. Abel, Leibniz Institut für Oberflächen-modifizierung (IOM)/D

14:20

14:40 modelling mass and charge transport in different types of electrolytes and impact on Li-ion cell performanceM. Mutke, H.-D. wiemhöfer, Universität Münster/D

Laser photofragmentation and ultrafast time-resolved dynamics of mass-selected metal-ligand ionic speciesC. Riehn, Y. Nosenko, D. Imanbaew, S. Kruppa, TU Kaiserslautern/D

14:40

15:00 non-linear optical imaging – A tool to discriminate healthy skin against non-melanoma skin cancers?S. Heuke, N. Vogler, T. Meyer, D. Akimov, Institut für Photonische Technologien Jena e.V./D; K. Franziska, H.-J. Röwert-Huber, J. Lademann, Universitätsklinikum Berlin - Charité/D; J. Popp, Institut für Photonische Technologien Jena e.V./D

modeling crystallization in lithium-oxygen batteriesB. Horstmann, Deutsches Zentrum für Luft- und Raumfahrt, Stuttgart/D and Helmholtz-Institut Ulm/D

band structure investigations of organic single crystals using a novel multidimensional electron spectrometer: ArtoF 10kA. Vollmer, R. Ovsyannikov, M. Gorgoi, M. Oehzelt, S. Krause, A. Föhlisch, Helmholtz Zentrum Berlin für Materialien und Energie GmbH/D; N. Martensson, S. Svensson, A. Lindblad, Uppsala University/S; T. Schmeiler, J. Pflaum, Universität würzburg/D; N. Koch, Humboldt Universität zu Berlin/D

15:00

15:20 Isotope labelled infrared spectroscopy and theoretical investigations of adenosine 5‘-di- and triphosphate anions in a penning trapF. Schinle, P.E. Crider, O. Hampe, M.M. Kappes, Karlsruher Institut für Technologie/D

Investigations of lithium dendrite growthS.L. Koch, E. Paillard, M. winter, S. Passerini, University of Münster/D

crosslinked gold nanoparticles on polyethylene: resistive responses to tensile strain and vaporsN. Olichwer, E.w. Leib, A.H. Halfar, A. Petrov, T. Vossmeyer, Universität Hamburg/D

15:20


Biophysical Chemistry electrochemical interfaces Physical-Chemical methodsChair: B. Luy Chair: R. Schuster Chair: A. Köhn

16:00 skin from the chemical perspective – raman micro-spectro-scopy for disease characterization and therapy surveillanceM. Mischo, Ruhr-Universität Bochum/D; L. von Kobyletzki, Lund University, Malmö/S; L. von Kobyletzki, Karlstad University/S; S. Baldus, D. Schmidt, A. Potthoff, E. Bründermann, N.H. Brockmeyer, P. Awakowicz, M. Havenith, Ruhr-Universität Bochum/D

Full leCtureUltrathin magnetic films: the power of electrochemistryP. Allongue, F. Maroun, N. Tournerie, A. Engelhardt, R. Novak, CNRS, Palaiseau/F

Kinetic monte carlo simulations of heterogeneously catalyzed gas-phase reactionsF.M. Kuhn, L. Kunz, O. Deutschmann, Karlsruher Institut für Technologie/D

16:00

16:20 Understanding biomolecular hydration-shell dynamics at the molecular levelA. Fogarty, Ecole Normale Supérieure, Paris/F; F. Sterpone, IBPC, Paris/F; J.T. Hynes, University of Colorado, Boulder/USA; D. Laage, Ecole Normale Supérieure, Paris/F

First principles simulations of vibrationally resolved photodetachment spectra of select biradicals using mctDhM. Nooijen, P. Goel, University of waterloo/CDN

16:20

16:40 A thermodynamic view on protein affinities to aqueous-solid interfacesJ. Koo, C. Czeslik, TU Dortmund/D

porous nanophase materials with electrochemically tunable propertiesE. Steyskal, S. Topolovec, S. Landgraf, TU Graz/A; H. Krenn, Universität Graz/A; R. würschum, TU Graz/A

Accurate photoelectron spectra from first principles: how to find a reliable DFt starting point for g0W0T. Körzdörfer, University of Potsdam/D

16:40

17:00 small affinity molecules for large recognitionsA.M. Kreuziger, C. Schmidtke, J. Ostermann, H. weller, Universität Hamburg/D

In situ spectroelectrochemical investigation of semiconductor electrodeposition in ionic liquidsA. Lahiri, O. Höfft, S. Zein El Abedin, F. Endres, TU Clausthal/D

temperature effect of the fluorescence blueshift in [n]cycloparaphenylenes with increasing molecular sizeS. Irle, C. Camacho, Nagoya University/J; T. Niehaus, University of Regensburg/D

17:00

17:20 conjugation of iron oxide nanoparticles to a cancer- specific antibody for a highly sensitive mrI cancer detection and characterisationS.C. Salmen, University of Hamburg/D; M. Heine, A. Schildt, N. Raabe, U. Schumacher, G. Adam, University Medical Center Hamburg-Eppendorf/D; H. weller, University of Hamburg/D

Evidence for sErrs-enhancement in the spectra of ruthenium-dye metal nanoparticle conjugatesF. Theil, L. Zedler, A. März, University of Jena/D; w. Xie, University of Osnabrück/D; A. Csaki, w. Fritzsche, D. Cialla, Institut für Photonische Technologien Jena e.V./D; M. Schmitt, University of Jena/D; J. Popp, B. Dietzek, Institut für Photonische Technologien Jena e.V./D

Electron dynamics of excitation induced interatomic coulombic decay in quantum dotsA. Bande, K. Gokhberg, L.S. Cederbaum, Universität Heidelberg/D

17:20

17:40 When stem cells roll: A microfluidic analysis of the catch bond mediated interaction between cD44 and hyaluronic acidM. Hanke, Karlsruher Institut für Technologie, Eggenstein-Leopoldshafen/D; I. Taubert, C. Christophis, N. Baran, P. wuchter, A. Ho, Universitätsklinikum Heidelberg/D; A. Rosenhahn, Ruhr-Universität Bochum/D

shear elasticity in liquids: A quartz crystal microbalance studyw.E. Gomes, M.A. Tenan, E.R.R. do Nascimento, C.A. Bertran, Universidade Estadual de Campinas/BR; w. Kautek, Universität wien/A; D.M. Soares, Universidade Estadual de Campinas/BR

size dependent vibrational frequency shift of co+ ions inside helium clustersM. Lewerenz, M. Mladenovic, Universite Paris Est, Marne la Vallee Cedex 2/F

17:40

18:00 –22:00

postEr sEssIon postEr sEssIon18:00 –22:00

18 19


saturday, may 11, 2013 saturday, may 11, 2013AUDImAx AUDImAx

Chair: W. Domcke Chair: W. Domcke

8:30 pLEnArY LEctUrE: Insights into transition metal catalysis from a combination of spectroscopy and quantum chemistry

F. Neese, Max Planck Institute for Chemical Energy Conversion, Mülheim an der Ruhr/D

pLEnArY LEctUrE: Insights into transition metal catalysis from a combination of spectroscopy and quantum chemistry


8:30

AUDImAx hÖrsAAL I crIEgEE hÖrsAAL II

theory meets spectroscopy (main topic) interfaces theory meets spectroscopy (main topic) solid stateChair: W. Domcke Chair: A. Turchanin Chair: A. Bande Chair: E. Bucher

9:20 Full leCtureEvolution of Kondo resonance from a single impurity molecule to the two-dimensional latticeM. Kawai, University of Tokyo/J

gasdetektion mit komplexen spr-sensoren und ellipso-metrischem messprinzipA. Hertwig, A. Nooke, U. Beck, A. Krause, BAM Bundesanstalt für Materialforschung und -prüfung, Berlin/D; M. Kormunda, J. Pavlik, University Jan Evangelista Purkyne, Usti nad Labem/CZ; H. Krüger, V. Lohse, V. Schröder, BAM Bundesanstalt für Materialforschung und -prüfung, Berlin/D; J. Steinbach, Technische Universität Berlin/D

Low scaling second-order methods for excited states using pair natural orbitalsB. Helmich, C. Hättig, Ruhr-Universität Bochum/D

mixed conducting perovskite-type electrodes in h2/h2o and o2 atmospheres: current pathways and electrode kineticsA.K. Opitz, A. Nenning, S. Kogler, G. walch, J. Fleig, TU wien/A

9:20

9:40 metallorganische netzwerke: chemiresistoren aus dem baukastenR. Dittrich, M. Günthel, J. Hübscher, M. Mazik, F. Mertens, Y. Joseph, TU Bergakademie Freiberg/D

An incremental correlation approach to electronic excitation energies in molecular systemsR.A. Mata, Universität Göttingen/D

Fast fluorine ion conductivity in fluorite-type baxLa1-xF3-x solid solutions prepared by high-energy ball millingA. Düvel, P. Heitjans, Leibniz Universität Hannover/D

9:40

10:00 Ab initio assignment of nmr spectra using linear- and sublinear-scaling quantum-chemical methods for molecules with 1000 and more atomsC. Ochsenfeld, University of Munich/D

structured surface-anchored metal-organic frameworks: A new class of highly porous material with high potential for biological applicationH. Gliemann, M. Hanke, H.K. Arslan, S. Bauer, O. Zybaylo, C. Christophis, A. Rosenhahn, C. wöll, Karlsruhe Institute of Technology/D

Electron tunneling from electronically excited states of chromophore multianionsM.-O. winghart, Karlsruher Institut für Technologie/D; J.-P. Yang, Hefei University of Technology/PRC; M. Kühn, A.-N. Unterreiner, T. wolf, Karlsruher Institut für Technologie/D; P.D. Dau, H.-T. Liu, D.-L. Huang, Brown University, Providence/USA; Y.-R. Miao, C.-G. Ning, Tsinghua University, Beijing/PRC; w. Klopper, Karlsruher Institut für Technologie/D; L.-S. wang, Brown University, Providence/USA; M.M. Kappes, Karlsruher Institut für Technologie/D

bombardment induced transport of rb+ through a K+ conducting glass versus K+ through a rb+ glassD. Budina, J. Martin, P. Menezes, J. Zakel, M. Schäfer, K.-M. weitzel, Universität Marburg/D

10:00


Chair: M. Schnell Chair: W. Kautek Chair: G. Rauhut Chair: G. Gregori

10:40 Full leCturerotational spectroscopy meets theoryC. Puzzarini, University of Bologna/I

c58 on Au(111): An stm-based studyN. Bajales, S. Schmaus, T. Miyamachi, w. wulfhekel, J. wilhelm, M. Stendel, M. walz, A. Bagrets, F. Evers, S. Ulas, B. Kern, A. Böttcher, M.M. Kappes, Karlsruher Institut für Technologie/D

Analytic hessians and vibrational spectra calculations for rI-cc2 and rI-mp2D. Friese, C. Hättig, Ruhr-Universität Bochum/D

converse piezoelectricityM. Springborg, Saarland University, Saarbrücken/D; B. Kirtman, University of California, Santa Barbara/USA

10:40

11:00 surface-assisted organic synthesis: novel hyperbenzene nanotroughs and coordination polymer chains on cu(111)Q.T. Fan, C.C. wang, Y. Han, J.F. Zhu, University of Science and Technology of China, Hefei/PRC; w. Hieringer, FAU Erlangen-Nürnberg, Erlangen/D; J. Kuttner, G. Hilt, J.M. Gottfried, Universität Marburg/D

Dissecting the interaction energies in ionic liquids by means of low frequency spectroscopy and quantum chemical calculationsK. Fumino, Universität Rostock/D; V. Fossog, Universität des Saarlandes, Saarbrücken/D; K. wittler, Universität Rostock/D; R. Hempelmann, Universität des Saarlandes, Saarbrücken/D; R. Ludwig, Universität Rostock/D

Atomic scale insight into the oxidation of ru(0001) using atomic oxygenB. Herd, J. Goritzka, H. Over, University of Giessen/D

11:00

11:20 the hydrogen bonding in vitamin c: A puzzle disentangledI. Peña, A.M. Daly, C. Cabezas, S. Mata, C. Bermúdez, A. Niño, J.C. López, J.L. Alonso, Universidad de Valladolid/E; J.-U. Grabow, Leibniz-Universität Hannover/D

Electronic properties of mov oxide catalysts in the selective oxidation of alkanes: An in situ microwave cavity perturbation studyC. Heine, M. Eichelbaum, A. Trunschke, R. Schlögl, Fritz-Haber-Institut der MPG, Berlin/D

computing vibrational spectra from ab initio molecular dynamicsM. Thomas, M. Brehm, R. Fligg, P. Vöhringer, B. Kirchner, Universität Bonn/D

operando xAs study on pd2ga catalyst for methanol synthe-sisH.w. Pereira de Carvalho, Karlsruhe Institute of Technolgy/D; I. Sharafutdinov, TU of Denmark, Lyngby/DK; H. Lichtenberg, Karlsruhe Institute of Technolgy/D; I. Chorkendorff, C. Damsgaard, TU of Denmark, Lyngby/DK; J.D. Grunwaldt, Karlsruhe Institute of Technolgy/D

11:20

11:40 Internal rotation and nuclear quadrupole splitting measured with broadband microwave spectroscopyV.A. Shubert, D. Schmitz, T. Betz, M. Schnell, Center for Free Electron Science, Hamburg/D

towards atomistic simulations of heterogeneous catalysts employing neural network potentialsN. Artrith, B. Hiller, T. Morawietz, J. Behler, Ruhr-Universität Bochum/D

the clo dimer: structures, spectroscopy, formation and thermochemistryL. Horny, M. willeke, M. Quack, ETH Zürich/CH

triplet exciton dynamics in single-wall carbon nanotubesF. Späth, D. Stich, H. Kraus, A. Sperlich, V. Dyakonov, T. Hertel, Universität würzburg/D

11:40

12:00 A joint venture in microwave spectroscopy, quantum chemistry, and x-ray diffraction: the conformational space of small odorant moleculesH. Mouhib, w. Stahl, C. Merkens, T. Stadtmüller, U. Englert, RwTH Aachen University/D

surface vibrational spectroscopy of multi-unsaturated hydrocarbons on model catalystsS. Schauermann, w. Ludwig, A. Savara, K.-H. Dostert, C.P. O‘Brien, H.-J. Freund, Fritz-Haber-Institut der MPG, Berlin/D

computational dielectric spectroscopy of charged, dipolar systemsO. Steinhauser, M. Haberler, C. Schroeder, Universität wien/A

new mixed crystals containing nanoparticles as color conversion materialsT. Otto, M. Müller, P. Mundra, TU Dresden/D; V. Lesnyak, Istituto Italiano di Tecnologia, Genua/I; H.V. Demir, TU Nanyang, Singapur/SGP; N. Gaponik, A. Eychmüller, TU Dresden/D

12:00

12:20 –13:30

LUNCH BREAK LUNCH BREAK12:20 –13:30

20 21



Chair: W. Domcke Chair: W. Domcke

8:30 pLEnArY LEctUrE: Insights into transition metal catalysis from a combination of spectroscopy and quantum chemistry


pLEnArY LEctUrE: Insights into transition metal catalysis from a combination

of spectroscopy and quantum chemistryF. Neese, Max Planck Institute for Chemical Energy Conversion,

Mülheim an der Ruhr/D

8:30


soft matter electrochemical interfaces Hot topics

Chair: C. Czeslik Chair: B. Horstmann Chair: M. Quack

9:20 Effect and evolution of nanostructural complexity in sensitive polymer gelsS. Seiffert, Helmholtz-Zentrum Berlin/D

Full leCtureElectrochemistry of metal surfaces under nanoscopic electrolyte layersM. Rohwerder, Max-Planck-Institut für Eisenforschung, Düsseldorf/D

tunneling and tunneling switching dynamics in phenol and o-D-phenol: FtIr spectroscopy with synchrotron radiation and theoryS. Albert, ETH Zürich/CH; Ph. Lerch, PSI, Villigen/CH; R. Prentner, M. Quack, ETH Zürich/CH

9:20

9:40 new approaches for efficient simulation of complex molecules and aggregatesB. Engels, Universität würzburg/D

high-harmonic spectroscopy of oriented polyatomic moleculesP. Kraus, A. Rupenyan, J. Schneider, H.J. wörner, ETH Zürich/CH

9:40

10:00 how micelle curvature and charge density determine the structure of mixtures with oppositely charged polyelectrolytesL. Chiappisi, M. Gradzielski, TU Berlin/D

probing interfacial layer thickness and electronic properties of electrochemical interfaces: the example of oxide on zincY. Chen, A. Erbe, Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf/D

pIrAts study of oxygenates on titaniaP.M. Clawin, Universität Oldenburg/D; C.M. Friend, Harvard University, Cambridge/USA; K. Al-Shamery, Universität Oldenburg/D

10:00


Chair: S. Seiffert Chair: C. Roth Chair: R. Schäfer

10:40 Excess entropy scaling of transport properties of polyethylene chainsE. Voyiatzis, M.C. Böhm, F. Müller-Plathe, TU Darmstadt/D

Full leCturetheoretical studies on the electrode/electrolyte interfaceT. Jacob, University of Ulm/D

A synchrotron-based micro-x-ray diffraction study on the intergrowth structure of large h-Zsm-5 crystalsJ.P. Hofmann, Z. Ristanovic, U. Deka, Z. Öztürk, Utrecht Uni-versity/NL; T. Schülli, European Synchrotron Radiation Facility, Grenoble/F; A.M. Beale, B.M. weckhuysen, Utrecht University/NL

10:40

11:00 properties of star-shaped polymers tethered to a flat surface investigated by monte carlo simulation studiesS. Eisenhaber, G. Zifferer, Universität wien/A

single-particle photoluminescence microscopy of carbon nanotubes under microfluidic and potentiostatic controlN. Rühl, T. Hertel, Universität würzburg/D

11:00

11:20 A novel series of metastable sUrmoF-2 and their post synthetic modificationsJ. Liu, Z. wang, H.K. Arslan, P. weidler, H. Gliemann, S. Bräse, S. Grosjean, C. wöll, Karlsruher Institut für Technologie, Eggen-stein-Leopoldshafen/D; B. Lukose, T. Heine, Jacobs-University Bremen/D; A. Godt, Bielefeld University/D; X. Feng, K. Müllen, Max-Plank-Institut für Polymerforschung, Mainz/D

catching intermediates of the oxygen reduction reaction in situ: Insights from electrochemical AtIr-Ir and DFtP.U. Biedermann, S. Nayak, A. Erbe, Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf/D

Electrically-driven molecular motors: Unidirectional motion and inelastic electron tunnelingT. Kudernac, University of Groningen/NL; M. Parschau, Empa, Duebendorf/CH; N. Ruangsupapichat, B. Macia, N. Katsonis, S. Harutyunyan, B.L. Feringa, University of Groningen/NL; K.-H. Ernst, Empa, Duebendorf/CH

11:20

11:40 confocal raman microscopy: true surface and 3D raman imagingM. Stadler, U. Schmidt, T. Dieing, O. Hollricher, wITec GmbH, Ulm/D

nipt nanoparticles with independently tunable size and composition as electrocatalyst for fuel cell applicationsL. wittern, H. Heller, H. weller, Universität Hamburg/D

carbon nanomembranes and graphene from aromatic moleculesP. Angelova, H. Vieker, N.-E. weber, D. Matei, Universität Bielefeld/D; S. Kurash, U. Kaiser, Universität Ulm/D; K. Müllen, Max Planck Institut für Polymerforschung, Mainz/D; A. Turchanin, A. Gölzhäuser, Universität Bielefeld/D

11:40

12:00 smectic c phases in ionic liquid crystalsN. Kapernaum, C. Müller, S. Klenk, G. Starkulla, S. Laschat, F. Giesselmann, Universität Stuttgart/D

3D porous graphene-based composites for electrocatalytic applicationsH. Natter, A. Marinkas, Saarland University, Saarbrücken/D; V. Peinecke, A. Heinzel, ZBT Duisburg/D

Atr-Ir spectroscopic study of h2o and D2o in one- dimensional confinementS. Nayak, Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf/D; Sriram, C. Chia-Fu, Academia Sinica, Taipei/Tw; A. Erbe, Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf/D

12:00

12:20 –13:30

LUNCH BREAK LUNCH BREAK12:20 –13:30

22 23



Chair: J. Gauß Chair: J. Gauß

13:30 pLEnArY LEctUrE: Interfacial charge transfer dynamics and femtochemistry of molecular adsorbates

M. wolf, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin/D

pLEnArY LEctUrE: Interfacial charge transfer dynamics and femtochemistry of molecular adsorbates


13:30

AUDImAx crIEgEE hÖrsAAL II

theory meets spectroscopy (main topic) theory meets spectroscopy (main topic) solid stateChair: J. Gauß Chair: K. Fink Chair: M. Springborg

14:20 Full leCtureUltrafast soft x-ray photoelectron spectroscopy at liquid water microjetsB. Abel, University of Leipzig/D

photoinduced electron transfer with triplet states of n-phthalimidesF.J. Ifthikar, International University, Islamabad/PK; A. Mansha, GC University, Faisalabad/PK; G. Grampp, A. Kelterer, Graz University of Technology/A

Li-ion mobility in rutile tio2 as anode material for Li-ion batteries studied by 7Li nmrM. Scheuermann, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen/D; M. wohlfahrt-Mehrens, Zentrum für Solarenergie und wasserstoff Forschung, Ulm/D; N. Hüsing, Universität Salzburg/A; S. Indris, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen/D

14:20

14:40 on the treatment of solvent effects for electronically excited molecules using continuum modelsB. Lunkenheimer, A. Köhn, Universität Mainz/D

selective placement of faceted metal tips on semiconductor nanorodsH. Schlicke, D. Ghosh, L.-K. Fong, University of California Berkeley and Lawrence Berkeley National Laboratory, CA/USA; H.L. Xin, H. Zheng, Lawrence Berkeley National Laboratory, CA/USA; A.P. Alivisatos, University of California Berkeley and Lawrence Berkeley National Laboratory, CA/USA

14:40

15:00 structures of magnetic lanthanide clusters from far-Ir spectroscopyJ. Bowlan, FU Berlin/D; D.J. Harding, Universität Göttingen/D; J. Jalink, A. Kirilyuk, G. Meijer, Radboud University Nijmegen/NL; A. Fielicke, TU Berlin/D

controlling photochemistry via remote substitutionT.N.V. Karsili, A.M. wenge, M.N.R. Ashfold, University of Bristol/UK

size, shape and composition control of copper-based nanocrystalsM. Kruszynska, J. Li, B. Kempken, J. Parisi, J. Kolny-Olesiak, Universität Oldenburg/D

15:00

15:20 theoretical speculations on capabilities of two-dimensional electronic photon-echo spectroscopy to resolve coherent molecular dynamicsD. Egorova, Universität zu Kiel/D

Femtosecond investigation of intramolecular energy redistribution driven by different chromophore statesA. Kushnarenko, E. Miloglyadov, M. Quack, G. Seyfang, ETH Zürich/CH

Aufklärung des Urspungs der engen partikelgrößenverteilung von hexagonalen nasEF4 (sE = sm, Eu, gd, tb) nanopartikelnB. Voß, M. Haase, Universität Osnabrück/D

15:20

15:40 Femtosecond two-dimensional infrared spectroscopy of aniline: Experiment and ab initio calculationsD. Ehmer, D. Czurlok, J. Lindner, P. Vöhringer, Universität Bonn/D

towards cold chemistry with magnetically decelerated hydrogen atomsK. Dulitz, University of Oxford/UK; M. Motsch, ETH Zürich/CH; N. Vanhaecke, Fritz-Haber-Institut der MPG, Berlin/D; T.P. Softley, University of Oxford/UK

photonic & optical tunable nanomaterialsE. Redel, Karlsruher Institut für Technologie, Eggenstein-Leopoldshafen/D

15:40

AUDImAx AUDImAx


16:00 –17:00

Poster awards and Closing Ceremony Poster awards and Closing Ceremony16:00 –17:00

18:00 guided tour of the ZKm Zentrum für Kunst und Medientechnologie Karlsruhe (Center for Art and Media Karlsruhe)

guided tour of the ZKm Zentrum für Kunst und Medientechnologie Karlsruhe (Center for Art and Media Karlsruhe)

18:00

19:00 Conference Dinner at the ZKm Zentrum für Kunst und Medientechnologie Karlsruhe (Center for Art and Media Karlsruhe)

Conference Dinner at the ZKm Zentrum für Kunst und Medientechnologie Karlsruhe (Center for Art and Media Karlsruhe)

19:00

24 25



Chair: J. Gauß Chair: J. Gauß

13:30 pLEnArY LEctUrE: Interfacial charge transfer dynamics and femtochemistry of molecular adsorbates


pLEnArY LEctUrE: Interfacial charge transfer dynamics and femtochemistry

of molecular adsorbatesM. wolf, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin/D

13:30


liquid state electrochemical interfaces Joint session DFg Funding / DBg awards

Chair: W. von Rybinski Chair: R. Merkle Chair: M. Peuckert

14:20 time-resolved photoelectron spectroscopy on liquids: how fast is the evaporation of water?E. Lugovoy, T. Gladytz, J. Nilsson, Universität Leipzig/D; B. Abel, K.R. Siefermann, Leibniz Institut für Oberflächenmodifizierung/D

solar hydrogen evolution by novel metal-free polymeric carbon nitride/chalcopyrite composite photocathodesF. Yang, M. Pogrzeba, V. Kuznietzov, C. Merschjann, Helmholtz Zentrum Berlin/D; M. Lublow, Leibniz-Institut für Katalyse e.V., Rostock/D; A. Thomas, TU Berlin/D; T. Schedel-Niedrig, Helmholtz Zentrum Berlin/D

position und gestaltungsmöglichkeiten der physikalischen chemie in der DFgJ. Kowol-Santen, K. winkler, Deutsche Forschungsgemeinschaft (DFG), Bonn/D

14:20

14:40 the thz signature of single ions in aqueous solutionG. Schwaab, F. Böhm, V. Sharma, H. wirtz, M. Havenith, Ruhr-Universität Bochum/D

bombardment induced ion transport (bIIt) through ultra-thin polymer filmsS. Schulze, J. Zakel, M. Schäfer, A. Greiner, K.-M. weitzel, Universität Marburg/D

14:40

15:00 Ion speciation of protic ionic liquids in water: transfer from contact to solvent-separated ion pairsP. Stange, K. Fumino, R. Ludwig, Universität Rostock/D

oxygen diffusion in single crystal and bicrystal srtio3V. Metlenko, R.A. De Souza, RwTH Aachen University/D

aWarD leCture Bunsen-Denkmünze

15:00

15:20 solvent dependent characterization of highly photostable super-photoacidsB. Finkler, C. Spies, G. Jung, Saarland University, Saarbrücken/D

surface sensitivity of La0.6sr0.4coo3-d to so2 trace-impuritiesE. Bucher, w. Sitte, Montanuniversität Leoben/A; Ch. Gspan, F. Hofer, TU Graz and Graz Center for Electron Microscopy (ZFE)/A aWarD leCture

nernst-Haber-Bodenstein-Prize

15:20

15:40 Ultrafast electronic relaxation and ground state cooling dynamics of triphenylverdazyl radicals in acetonitrileC. weinert, B. wezisla, J. Lindner, P. Vöhringer, Universität Bonn/D

Enhanced oxygen exchange at (La,sr)coo3-d / (La,sr)2coo4+d / o2 triple phase boundariesS. Stämmler, R. Merkle, B. Stuhlhofer, G. Logvenov, J. Maier, Max Planck Institute for Solid State Research, Stuttgart/D

15:40

AUDImAx AUDImAx


16:00 –17:00

Poster awards and Closing Ceremony Poster awards and Closing Ceremony16:00 –17:00

18:00 guided tour of the ZKm Zentrum für Kunst und Medientechnologie Karlsruhe (Center for Art and Media Karlsruhe)

guided tour of the ZKm Zentrum für Kunst und Medientechnologie Karlsruhe

(Center for Art and Media Karlsruhe)

18:00

19:00 Conference Dinner at the ZKm Zentrum für Kunst und Medientechnologie Karlsruhe (Center for Art and Media Karlsruhe)

Conference Dinner at the ZKm Zentrum für Kunst und Medientechnologie Karlsruhe

(Center for Art and Media Karlsruhe)

19:00

26 27

BunSenTagung 2013 · karlSruhe Theory meeTS SpecTroScopyTheory meeTS SpecTroScopyBunSenTagung 2013 · karlSruhe

P 1.21 novel organic hydrogen storage materials: Dehydrogenation of dodecahydro-N-ethylcarbazole on pt and pd model catalysts M. Amende, M. Sobota, S. Schernich, I. Nikiforidis, O. Höfert, w. Zhao, Y. Lykhach, C. Papp, w. Hieringer, M. Laurin, D. Assenbaum, P. wasserscheid, H.-P. Steinrück, A. Görling, J. Libuda, FAU Erlangen-Nürnberg, Erlangen/D

P 1.22 Adsorption of formic acid on Zno (10-10) – An infrared reflection absorption spectroscopy study M. Buchholz, Q. Li, K. Fink, A. Nefedov, C. wöll, Karlsruher Institut für Technologie, Eggenstein-Leopoldshafen/D

P 1.23 the highly anharmonic systems FhF- and clhcl-: theory and experiment P. Sebald, A. Bargholz, R. Oswald, C. Stein, P. Botschwina, Universität Göttingen/D; K. Kawaguchi, Okayama University/J

P 1.24 spectroscopic properties of the c-c6h7 radical and its cation: A high-level theoretical study A. Bargholz, R. Oswald, P. Botschwina, Universität Göttingen/D

P 1.25 Ultrafast molecular reaction dynamics on insulating thin films and supported metal particles M. Vaida, T.M. Bernhardt, Universität Ulm/D

P 1.26 Attenuated total reflection mid-Ir-spectroscopy for electrochemical applications using a quantum cascade laser S. Pengel, B. Schönberger, A. Erbe, Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf/D

P 1.27 control of the photoinduced dynamics of Dcm and coumarin 307 in the ultraviolet regime I. Halfpap, J. Plenge, E. Rühl, Freie Universität Berlin/D

P 1.28 rEmpI probing of Ir-laser induced population transfer in nh3 – First steps to measure parity violation in chiral molecules P. Dietiker, P. Miloglyadov, M. Quack, A. Schneider, G. Seyfang, ETH Zürich/CH

P 1.29 similarities and differences in the optical response of perylene-based hetero-bichromophores and their monomeric units P. Nuernberger, U. Selig, V. Dehm, V. Settels, M. Gsänger, B. Engels, F. würthner, T. Brixner, Universität würzburg/D

P 1.30 Quantum chemical calculations on methyl internal rotation barriers in small and medium-sized molecules H.V.L. Nguyen, RwTH Aachen/D

P 1.31 gas phase luminescence studies of chromophoric systems: hypsochromic shifts, metal adducts, excited states lifetimes, comparison with theory J.F. Greisch, M.E. Harding, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen/D; w. Klopper, M.M. Kappes, D. Schooss, Karlsruhe Institute of Technology/D

P 1.32 rolled-up microtubes for light-matter interaction with colloidal quantum dots S. Kietzmann, C. Strelow, Universität Hamburg/D; A. Schramm, J.-P. Pettinen, T.V. Hakkarainen, Tampere University of Technology/FIN; A. Mews, T. Kipp, Universität Hamburg/D

P 1.33 modulation of Eu3+ emission by complexation of alkali metal cations to europium 9-hydroxylphenalen-1-one complexes in gas-phase J.F. Greisch, M.E. Harding, B. Schaefer, M. Ruben, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen/D; w. Klopper, M.M. Kappes, D. Schooss, Karlsruhe Institute of Technology/D

P 1.34 combined optical, electrical and scanning probe investigations of semiconductor nanowires D. Behn, C. Strelow, T. Kipp, A. Mews, Universität Hamburg/D

P 1.35 Electrode potential dependent transformation of germanium/electrolyte interface in acidic medium: In situ electrochemical Atr-Ir and DFt S. Nayak, P.U. Biedermann, S. Chakraborty, Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf/D; R. Schmid, Ruhr-Universität Bochum/D; A. Erbe, Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf/D

P 1.36 harmonic frequency calculations with the Lmomo method T. Stolper, M. Andrejic, R.A. Mata, Universität Göttingen/D

P 1.37 Isomer-selected photoelectron spectroscopy of isolated DnA oligonucleotides M. Vonderach, O.T. Ehrler, P. weis, M.M. Kappes, Karlsruher Institut für Technologie/D

P 1.38 Ion mobility, photoelectron spectroscopy, and collision induced dissociation of mono-, di- and trinuclear metal porphyrin multianions U. Schwarz, M. Vonderach, R. Kelting, K. Brendle, M. Kappes, P. weis, Karlsruher Institut für Technologie/D

theory meets spectroscopy (main topic)

P 1.01 the raman spectrum of water clusters K.E. Otto, Z. Xue, P. Zielke, M.A. Suhm, University of Göttingen/D

P 1.02 mechanism of protonation induced changes in the photophysical properties of a molecular DnA sensor M. wächtler, M. Bräutigam, University of Jena/D; S. Rau, University of Ulm/D; J. Popp, B. Dietzek, University of Jena/D

P 1.03 origin-independent calculation of quadrupole intensities in x-ray spectroscopy A.J. Atkins, S. Bernadotte, C.R. Jacob, Karlsruhe Institute of Technology (KIT)/D

P 1.04 thermosensitivity of copolymers of N-isopropylacrylamide and N,N-diethylacrylamide: the influence of monomer sequence and methanol addition F. Plamper, C. Hofmann, A. Steinschulte, RwTH Aachen University/D; R. winter, TU Dortmund/D; S. Hietala, University of Helsinki/FIN; w. Richtering, RwTH Aachen University/D

P 1.05 preferential solvation on radical ion pair detected by mArY spectroscopy K. Pal, G. Grampp, D.R. Kattnig, S. Landgraf, TU Graz/A

P 1.06 A quantum-mechanical study of selected molecules: Influence of the reactant and the functional group on their vibrational spectra M. Ramirez, F. Flug, C. Nies, M. Springborg, w. Possart, Saarland University, Saarbrücken/D

P 1.07 Analysis of o-carborane based donor-acceptor-dyes by static and dynamic fluorescence methods L. Böhling, J. Kahlert, A. Brockhinke, L. weber, Universität Bielefeld/D; M.A. Fox, Durham University/UK

P 1.08 Fullerene ions in outer space and in the laboratory D. Strelnikov, B. Kern, P. weis, A. Böttcher, M.M. Kappes, Karlsruher Institut für Technologie/D

P 1.09 Analyzing vibrational spectra of polymers with localized modes P.T. Panek, C.R. Jacob, Karlsruhe Institute of Technology/D

P 1.10 Efficient calculation of high-order coupling terms in the many-body expansion of potential energy surfaces P. Meier, J. Klepp, G. Rauhut, Universität Stuttgart/D; G. Bellchambers, F.R. Manby, University of Bristol/UK

P 1.11 Implementation of two-component time-dependent density functional theory and application to phosphorescence lifetimes of oLEDs M. Kühn, F. weigend, Karlsruher Institut für Technologie/D

P 1.12 Aggregation of 1-indanol: A multiexperimental approach reveals chirality recognition phenomena at the edge of DFt accuracy J. Altnöder, J.J. Lee, K.E. Otto, M.A. Suhm, Universität Göttingen/D; A. Bouchet, M. Broquier, A. Zehnacker-Rentien, Université Paris-Sud/F

P 1.13 onset of hydrogen bonded collective network of water in 1,4-dioxane T.Q. Luong, Ruhr University Bochum/D; P.K. Verma, R.K. Mitra, S.N. Bose National Centre for Basic Sciences, Kolkata/IND; M. Havenith, Ruhr University Bochum/D

P 1.14 transformation of anharmonic potential energy surfaces for the efficient calculation of vibrational frequencies of isotopologues D. Oschetzki, P. Meier, G. Rauhut, Universität Stuttgart/D

P 1.15 vibrational multi-reference configuration interaction theory F. Pfeiffer, G. Rauhut, Universität Stuttgart/D

P 1.16 chemiluminescence of flames: novel aspects for measurement and simulation J. Krüger, Universität Bielefeld/D

P 1.17 Uv raman spectroscopy and force field analysis of silica supported vanadium oxide catalysts D. Nitsche, C. Hess, TU Darmstadt/D

P 1.18 spin density decomposition in the basis of paired orbitals S.P. Ruzankin, Boreskov Institute of Catalysis, Novosibirsk/RUS; I. Lyskov, Universität Düsseldorf/D; I.L. Zilberberg, Boreskov Institute of Catalysis, Novosibirsk/RUS

P 1.19 new features in trAvIs – vibrational spectra from AImD M. Brehm, M. Thomas, B. Kirchner, Universität Bonn/D

P 1.20 Femtosecond pump-probe investigation of ortho-nitrophenol and its constitutional isomers in solution H.A. Ernst, T.J.A. wolf, N. Gonzalez-Garcia, A.-U. Unterreiner, M. Olzmann, Karlsruher Institut für Technologie/D

postEr progrAmmE postEr progrAmmE

28 29


P 1.58 A simple model for the relaxation dynamics in perylene-bisimide dimers excited by femtosecond laser pulses V. Engel, M. Keß, A. Schubert, V. Settels, B. Engels, F. würthner, Universität würzburg/D; S. Lochbrunner, Universität Rostock/D; C. Meier, Universite Paul Sabatier, Toulouse/F

P 1.59 structural investigations on isolated alanine containing peptides with Ft-Ir spectroscopy in combination with DFt calculations M. Zimmer, S. Kruppa, M. Gerhards, TU Kaiserslautern/D

P 1.60 calculation of harmonic and anharmonic force constants for the formic acid dimer N. Graf, Ruhr-Universität Bochum/D; D.P. Tew, University of Bristol/UK; C. Hättig, Ruhr-Universität Bochum/D

P 1.61 conformational space of the phycocyanobilin chromophore by ab initio spectroscopy T. watermann, Universität Halle-wittenberg, Halle (Saale)/D; H. Elgabarty, Freie Universität Berlin/D; D. Sebastiani, Universität Halle-wittenberg, Halle (Saale)/D

P 1.62 combined electrochemical and in situ FtIr-spectroscopic investigation of nanopores in ultra-thin siox films C.-N. Liu, B. Ozkaya, Universität Paderborn/D; S. Steves, P. Awakowicz, Ruhr-Universität Bochum/D; G. Grundmeier, Universität Paderborn/D

P 1.63 high-resolution rotational spectroscopy of polyaromatic molecules and semiexperimental equilibrium structure of 1,3,4 oxadiazole M. Jahn, J.-U. Grabow, Leibniz Universität Hannover/D; D. McNaughton, P. Godfrey, Monash University, Victoria/AUS; E. Cocinero, Universidad del País Vasco, Bilbao/E; A. Lesarri, Universidad de Valladolid/E; J.-C. Guillemin, Ecole Nationale Supérieure de Chimie de Rennes/F; H.D. Rudolph, University of Ulm/D

P 1.64 Quantum simulations of helium clusters with open shell and ionic dopants J. Jiang, M. Lewerenz, Universite Paris Est, Marne la Vallee Cedex 2/F

P 1.65 no+ ions inside helium clusters: structures, cohesive energies and size dependent vibrational frequency shifts D. Dominik, M. Lewerenz, Universite Paris Est, Marne la Vallee Cedex 2/F

P 1.66 towards quantum chemical nmr chemical shifts of proteins A. Frank, H.M. Möller, Universität Konstanz/D; T.E. Exner, Universität Tübingen/D

P 1.67 Intrinsic fluorescence properties of rhodamine cations J.-F. Greisch, M.E. Harding, w. Klopper, M.M. Kappes, D. Schooss, Karlsruhe Institute of Technology/D

P 1.68 spectroscopic properties of hoco and chno family from ab initio ccsD(t) studies M. Mladenovic, Université Paris Est, Marne la Vallée Cedex 2/F

P 1.69 metalated hoogsteen binding in a nucleobase pair mimic by two-color Ir dissociation spectroscopy and DFt calculations Y. Nosenko, F. Menges, C. Riehn, G. Niedner-Schatteburg, TU Kaiserslautern/D

P 1.70 semiclassical Wigner propagation as a numerical tool in molecular dynamics S. Ivanov, Universität Rostock/D; D. Marx, Ruhr-Universität Bochum/D; T. Dittrich, Universidad Nacional de Colombia, Bogotá D.C./CO

P 1.71 optical absorption spectra of small and medium coinage metal nanoclusters V. Grigoryan, M. Springborg, University of Saarland, Saarbrücken/D; H. Minassian, A.I. Alikhanyan National Science Laboratory, Yerevan/ARM; A. Melikyan, Russian-Armenian State University, Yerevan/ARM

P 1.72 the dynamic structure of the benzene dimer – A floppy symmetric top M. Schnell, Center for Free-Electron Laser Science, Hamburg/D; P.R. Bunker, National Research Council, Ottawa/CDN; U. Erlekam, G. von Helden, Fritz-Haber-Institut der MPG, Berlin/D; J.-U. Grabow, Leibniz-Universität Hannover/D; G. Meijer, Fritz-Haber-Institut der MPG, Berlin/D; A. van der Avoird, Radboud Universiteit Nijmegen/NL

P 1.73 theoretical investigation of the L-edge x-ray absorption spectra of aqueous transition metal ions S.I. Bokarev, S. Ivanov, O. Kühn, University of Rostock/D

P 1.74 A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters F. Latorre, University of Vienna/A; J. Guthmuller, Gdansk University of Technology/PL; P. Marquetand, L. González, University of Vienna/A

P 1.39 broadband microwave spectroscopy of biologically relevant complexes in the gas phase S. Zinn, T. Betz, D. Schmitz, V.A. Shubert, M. Schnell, Center for Free-Electron Laser Science, Hamburg/D

P 1.40 Ultrafast dynamics of meso-tetraphenylmetalloporphyrins Y. Liang, Karlsruhe Institute of Technology/D; M. Bradler, Universität München/D; M. Klinger, Karlsruhe Institute of Technology/D; O. Schalk, Universität München/D; M.C. Balaban, T.S. Balaban, Aix Marseille Université/F; E. Riedle, Universität München/D; A.-N. Unterreiner, Karlsruhe Institute of Technology/D

P 1.41 Isomers of (h2o)n in the size range n = 19 – 30 C.C. Pradzynski, F. Zurheide, T. Zeuch, Universität Göttingen/D

P 1.42 A high resolution FtIr spectroscopic study of collisionally – cooled chF3 I.B. Bolotova, O.N. Ulenikov, E.S. Bekhtereva, S. Albert, S. Bauerecker, H. Hollenstein, M. Quack, ETH Zürich/CH

P 1.43 Ultrafast photoinduced dynamics of halogenated cyclopentadienes: observation of geminate charge-transfer complexes in solution T.J.A. wolf, Karlsruher Institut für Technologie/D; O. Schalk, Universität München/D; R. Radloff, Karlsruher Institut für Technologie/D; G. wu, Chinese Academy of Sciences, Dalian/PRC; P. Lang, Universität München/D; A. Stolow, National Research Council, Ottawa/CDN; A.-N. Unterreiner, Karlsruher Institut für Technologie/D

P 1.44 [1+1]-rEmpI experiments on pyracene M. Lang, C. Schon, I. Fischer, Universität würzburg/D

P 1.45 A high resolution FtIr spectroscopic study of 13ch4 up to 4000 cm-1 O. Gromova, O. Ulenikov, E. Bekhtereva, S. Albert, Swiss Federal Institute of Technology Zurich/CH; S. Bauerecker, TU Braunschweig/D; H.-M. Niederer, M. Quack, Swiss Federal Institute of Technology Zurich/CH

P 1.46 modeling solvent effects on chiroptical response properties with frozen density embedding M.D. Kundrat, C.R. Jacob, Karlsruher Institut für Technologie/D

P 1.47 microwave survey of the conformational landscape exhibited by the propeller molecule triethyl amine R. Kannengießer, H.V.L. Nguyen, w. Stahl, RwTH Aachen University/D

P 1.48 photocatalytic hydrogen generation via iron based water reduction catalyst – An in situ FtIr study S. Fischer, E. Barsch, R. Ludwig, Universität Rostock/D; M. Bauer, TU Kaiserslautern/D

P 1.49 charge separation and structural flexibility in the binding and activation of molecular oxygen by neutral gold clusters A.P. woodham, G. Meijer, Fritz-Haber-Institut der MPG, Berlin/D; A. Fielicke, TU Berlin/D

P 1.50 Dissociation energy D0 of formic acid dimer: A spectroscopic determination F. Kollipost, A.V. Domanskaya, M.A. Suhm, Universität Göttingen/D

P 1.51 structure revision of plakotenin based on computational investigation of transition states and spectroscopic properties A. Bihlmeier, w. Klopper, Karlsruher Institut für Technologie/D

P 1.52 photoinduced electron transfer in donor-acceptor compounds: From small oligomers to polymers F. Kanal, S. Ruetzel, H. Lu, C. Lambert, T. Brixner, Universität würzburg/D

P 1.53 Atomic emission stratigraphy by laser-induced plasma spectroscopy: Quantitative depth profiling of metal thin film systems U. Pacher, T. Nagy, O. Armbruster, H. Pöhl, w. Kautek, Universität wien/A

P 1.54 schnelle Erfassung von großamplitudigen bewegungen in 2,6-difluorophenol D.A. Dewald, M.K. Jahn, D. wachsmuth, J.-U. Grabow, Leibniz Universität Hannover/D; S. Mehrotra, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad/IND

P 1.55 high-harmonic transient grating spectroscopy of the photodissociation of cx3I (x=h, D, F) A. Tehlar, H.J. wörner, ETH Zürich/CH

P 1.56 conformational dynamics of the pseudorotation of 2(S)-methyl-4(R)-propyl-1,3-oxathiane V. Van, H. Mouhib, RwTH Aachen University/D

P 1.57 neutron diffraction curves from mD simulations of tetraalkylammonium halide salts and tetraalkylammonium based ionic liquids in water G. Ahn-Ercan, ComputeChem, Saal an der Donau/D and Universität Regensburg/D


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P 2.18 molecular orientation of polyphilic molecules within lipid model membranes B. Lechner, S. werner, A. Achilles, H. Ebert, C. Tschierske, C. Bacia, K. Saalwächter, A. Blume, University of Halle-wittenberg, Halle (Saale)/D

P 2.19 Quantification of the adhesion strength of the diatom Navicula perminuta in a microfluidic assay to test foul release coatings M. Alles, C. Christophis, Universität Heidelberg/D; M.E. Callow, University of Birmingham/UK; A. Rosenhahn, Universität Heidelberg/D

soft matter

P 3.01 Fluorescent nanofibers for optoelectronic devices R. Horeis, C. Dosche, T. Klüner, University of Oldenburg/D; B. Rogez, E. Boer-Duchemin, G. Comtet, G. Dujardin, University of Paris South/F; J. Christoffers, K. Al-Shamery, University of Oldenburg/D

P 3.02 reptation dynamics of polymer melts in dissipative particle dynamics simulations via slip-springs M. Langeloth, TU Darmstadt/D; Y. Masubuchi, Kyoto University/J; M.C. Böhm, F. Müller-Plathe, TU Darmstadt/D

P 3.03 Investigation of carbon nanotube photoluminescence in a microfluidic device for environmental control F. Bergler, F. Schöppler, T. Hertel, Universität würzburg/D

P 3.04 growth of semiconducting organic crystals by physical vapor deposition onto thin liquid films M. Zugermeier, M. Chen, H.-J. Drescher, J.M. Gottfried, Universität Marburg/D

P 3.05 structure and dynamics of polyelectrolyte/surfactant aggregates I. Hoffmann, TU Berlin/D and ILL, Grenoble/F; B. Farago, ILL, Grenoble/F; M. Gradzielski, TU Berlin/D

gaseous state

P 4.01 ozonolysis of cyclohexene: theoretical investigation of the kinetics and product yields at varying pressure M. Pfeifle, M. Olzmann, Karlsruher Institut für Technologie/D

P 4.02 shock tube studies on the pyrolysis of 2,5-dimethylfuran L. Genthner, P. Friese, J. Kiecherer, T. Bentz, M. Olzmann, Karlsruher Institut für Technologie/D

P 4.03 ceox and tiox functionalized nanoporous gold inverse catalysts for water gas shift reaction J.J. Shi, A. wichmann, B. Neumann, L. Moskaleva, A. wittstock, M. Bäumer, Universität Bremen/D

P 4.04 Kinetic studies on pyrolysis of diethyl ether and self-ignition of diethyl ether/oxygen mixtures J. Kiecherer, B. Derstroff, M. Magar, S. Faas, T. Bentz, U. Maas, M. Olzmann, Karlsruher Institut für Technologie/D

P 4.05 Ir-mALDI-Ionenmobilitätsspektrometrie zur direkten Untersuchung von Flüssigkeiten M. Zühlke, D. Riebe, C. Brendler, T. Beitz, H.-G. Löhmannsröben, Universität Potsdam/D; A. Charvat, B. Abel, Leibniz-Institut für Oberflächenmodifikation (IOM), Leipzig/D

P 4.06 benzene activation and h/D isotope effects in reactions of mixed cobalt platinum, cobalt rhodium and cobalt gold cluster ions J. Mohrbach, C. Merkert, L. Barzen, M. Tombers, J. Hewer, G. Niedner-Schatteburg, TU Kaiserslautern/D

P 4.07 Exploring the reaction network of oxidative dehydrogenation of propane over model catalysts using isotopic tracer studies P. Kube, B. Frank, R. Schlögl, A. Trunschke, Fritz-Haber-Institut der MPG, Berlin/D

P 4.08 highly selective low temperature methane conversion on free gold dimers S.M. Lang, T.M. Bernhardt, Universität Ulm/D

P 4.09 Kinetic analysis of v+(h2o)n, n = 8-12 at low temperature in the gas phase I. Herber, O.P. Balaj, M.K. Beyer, Universität zu Kiel/D

P 4.10 rotational dependence of the deuteron- and charge- transfer reaction Dcl+ + hcl → hDcl+ + cl or hcl+ + Dcl T. Uhlemann, K.-M. weitzel, Universität Marburg/D

P 4.11 Adsorption kinetics of multiply charged metal porphyrin anions at low temperatures T. Karpuschkin, O. Hampe, M.M. Kappes, Karlsruhe Institute of Technology/D

P 4.12 Acetone-methanol clusters in supersonic expansions A.V. Domanskaya, F. Kollipost, M.A. Suhm, Universität Göttingen/D

Biophysical Chemistry

P 2.01 Long-range protein-water dynamics in hyperactive insect antifreeze proteins K. Meister, Ruhr University Bochum/D; Y. Xu, Unviversity of Nevada, Reno/USA; S. Ebbinghaus, Ruhr University Bochum/D; J. Duman, University of Notre Dame/USA; A. DeVries, M. Gruebele, University of Illinois, Urbana-Champaign/USA; D. Leitner, University of Nevada, Reno/USA; M. Havenith, Ruhr University Bochum/D

P 2.02 regulatory mechanism of the light-activable DnA-binding switch Lov-tAp: A computer simulation study S.A. Baeurle, E. Peter, B. Dick, Universität Regensburg/D

P 2.03 challenging cellular mechanics – Interfering with membrane-cytoskeleton attachment sites leads to substantial changes in membrane tension B.R. Brückner, A. Pietuch, A. Janshoff, Universität Göttingen/D

P 2.04 optical spectroscopy and microscopy of single gold nanoparticles N. Bohn, T. Hadler, Universität Hamburg/D

P 2.05 Unraveling the effect of atmospheric pressure plasma on living skin cells by raman microscopy K. Kartaschew, M. Mischo, S. Baldus, E. Bründermann, P. Awakowicz, M. Havenith, Ruhr-Universität Bochum/D

P 2.06 blue-light-induced unfolding of the Jalpha helix of aureochrome-Lov resolved by Ft-Ir difference spectroscopy E. Herman, T. Kottke, Universität Bielefeld/D; M. Sachse, P. Kroth, Universität Konstanz/D

P 2.07 synergetic effects found in cold atmospheric plasma treatment of biomacromolecules explored with raman-spectroscopy E. Edengeiser, J.w. Lackmann, S. Schneider, F. Jarzina, S. Brinckmann, E. Steinborn, E. Bründermann, J. Benedikt, J.E. Bandow, M. Havenith, Ruhr-Universität Bochum/D

P 2.08 carbohydrate-π interactions in proteins – A theoretical investigation J. Pecher, R.A. Mata, Universität Göttingen/D

P 2.09 the influence of pEg structure on the stability of pEgylated gold nanoparticles F. Schulz, N.G. Bastús, T. Vossmeyer, H. weller, Universität Hamburg/D

P 2.10 Ab-inito molecular dynamics of photoacids in aqueous solution G. Bekcioglu, C. Allolio, D. Sebastiani, Universität Halle-wittenberg, Halle (Saale)/D

P 2.11 synthesis of biocompatible and highly luminescent semiconductor core-shell and core-shell-shell nanorods for bioapplications C. wolter, Universität Hamburg/D

P 2.12 Kinetic terahertz absorption spectroscopy – A study of solvent dynamics during enzymatic catalysis J. Dielmann, V. Conti Nibali, E. Bründermann, Ruhr-Universität Bochum/D; B. Born, M. Grossmann, I. Sagi, The weizmann Institute of Science, Rehovot/IL; M. Havenith, Ruhr-Universität Bochum/D

P 2.13 solvent dynamics during enzymatic catalysis: A molecular dynamics simulations study V. Conti Nibali, Ruhr-Universität Bochum/D; M. Heyden, University of California, Irvine, CA/USA; J. Dielmann, Ruhr-Universität Bochum/D; M. Grossman, B. Born, T. Tworowski, I. Sagi, The weizmann Institute of Science, Rehovot/IL; M. Havenith, Ruhr-Universität Bochum/D

P 2.14 Ion release kinetics of triangular silver nanoprisms in aqueous media and their uptake into cells D. Nordmeyer, N. Fendel, Freie Universität Berlin/D; S. Ahlberg, F. Rancan, A. Vogt, J. Lademann, Charité – Universitätsmedizin, Berlin/D; C. Greulich, M. Köller, Ruhr-Universität Bochum/D; J. Diendorf, M. Epple, Universität Duisburg-Essen, Essen/D; J. Raabe, Paul Scherrer Institute, Villigen-PSI/CH; C. Graf, E. Rühl, Freie Universität Berlin/D

P 2.15 Unraveling the structure of the mmp 9-trimer and the aggrecan-ADAmts-5 complex by atomic force microscopy M. Senske, Ruhr-Universität Bochum/D; B. Born, The weizmann Institute of Science, Rehovot/IL; M. Mischo, Ruhr-Universität Bochum/D; A. Bitler, S. Cohen, The weizmann Institute of Science, Rehovot/IL; L. Troeberg, Imperial College London/UK; G. Opdenakker, Katholieke Universiteit Leuven/B; I. Sagi, The weizmann Institute of Science, Rehovot/IL; M. Havenith, Ruhr-Universität Bochum/D

P 2.16 the effects of macromolecular and self-crowding on the stability, hydration, and volumetric properties of lysozyme M. Kahse, R. winter, TU Dortmund/D

P 2.17 Exploring the pressure-dependent structural properties of crowder molecules and their effect on the p,t- stability diagram of proteins M. Erlkamp, S. Grobelny, R. winter, TU Dortmund/D


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P 5.19 Imaging chemically patterned self-assembled monolayers with helium-ion microscopy D. Emmrich, H. Vieker, A. Beyer, Universität Bielefeld/D

P 5.20 spectroscopic investigation of the h3po4 and h2o uptake of polybenzimidazole membranes for fuel cells F. Conti, A. Majerus, S. willbold, w. Lehnert, C. Korte, Forschungszentrum Jülich GmbH/D

P 5.21 manipulating the motion of neutral polar molecules with microwave fields S. Merz, Center for Free-Electron Laser Science, Hamburg/D and Max-Planck-Institut für Kernphysik, Heidelberg/D; N. Vanhaecke, G. Meijer, Fritz-Haber-Institut der MPG, Berlin/D; M. Schnell, Center for Free-Electron Laser Science, Hamburg/D and Max-Planck-Institut für Kernphysik, Heidelberg/D

P 5.22 modular concept for the preparation of hybrid nanomaterials A. Petrov, K. Kurth, T. Vossmeyer, H. weller, Universität Hamburg/D

P 5.23 Fast acquisition of high-resolution microwave spectra with broadband fast-passage Ft-mW spectroscopy D. wachsmuth, D.A. Dewald, M.K. Jahn, J.-U. Grabow, Leibniz Universität Hannover/D

P 5.24 Laser-induced electrochemical de- and repassivation investigations on plasma-oxidized aluminium alloys T. Nagy, U. Pacher, A. Giesriegl, L. Soyka, G. Trettenhahn, w. Kautek, Universität wien/A

P 5.25 modeling solute polarizability in 3D integral equation theory R. Frach, J. Heil, F. Hoffgaard, S. Egbers, S.M. Kast, TU Dortmund/D

P 5.26 Development of a perturbative Qm/mm monte carlo method for the study of molecules in solution J.C. Oliveira, R.A. Mata, Universität Göttingen/D

P 5.27 predicting ion selectivity of biological and synthetic nanopores by molecular dynamics simulations and 3D integral equation theory L.M. Henkes, F. Mrugalla, R. Frach, S.M. Kast, TU Dortmund/D

P 5.28 towards a thermodynamically consistent, quantitatively accurate integral equation theory D. Tomazic, M. Urban, S.M. Kast, TU Dortmund/D

P 5.29 reference beams from dense fluids w. Christen, B.-G. Chen, Humboldt-Universität zu Berlin/D

P 5.30 methanol synthesis from molecular dynamics J. Frenzel, D. Marx, Ruhr-Universität Bochum/D

P 5.31 photoluminescence spectroscopy of individual cdse quantum wires at low temperatures A. Reich, D. Franz, Universität Hamburg/D; Z. wang, Universität Zürich/CH; T. Kipp, A. Mews, Universität Hamburg/D

P 5.32 A multivariate method to disentangle complex spectra T. Gladytz, E. Lugovoy, Universität Leipzig/D; K. Siefermann, B. Abel, Leibniz Institut für Oberflächenmodifizierung, Leipzig/D

P 5.33 towards attosecond time-resolved molecular spectroscopy using laser-induced electron diffraction S.G. walt, T. Karg, H.J. wörner, ETH Zürich/CH

P 5.34 co oxidation over flame made manganese oxide catalysts M.T. Tepluchin, M.C. Casapu, Karlsruher Institut für Technologie/D; D.P. Pham, L.M. Mädler, Universität Bremen/D; J.-D.G. Grunwaldt, Karlsruher Institut für Technologie/D

P 5.35 combined in situ xAs and DrIFts measurements of co/no-oxidation over pt-based diesel oxidation catalysts A. Gänzler, A. Boubnov, M. Casapu, H. Lichtenberg, J.-D. Grunwaldt, Karlsruher Institut für Technologie/D

P 5.36 A low scaling pno-mp2 method for investigation of dispersion interaction in large systems G. Schmitz, B. Helmich, C. Hättig, Ruhr-Universität Bochum/D

P 5.37 Using rapid-scan Ir-techniques for examining water reduction B. Hoffmann, Universität Rostock/D; E. Barsch, Leibniz-Institut für Katalyse e.V., Rostock/D; S. Fischer, R. Ludwig, Universität Rostock/D

P 5.38 thermodynamics of temperature induced self-aggregation processes with variable stoichiometry L. Chiappisi, TU Berlin/D; G. Lazzara, Universitá degli Studi di Palermo/I; M. Gradzielski, TU Berlin/D; S. Milioto, Universitá degli Studi di Palermo/I

P 5.39 semiconductor nanoparticles made at the plasma/ionic liquid interface N. Spitczok von Brisinski, O. Höfft, F. Endres, TU Clausthal, Clausthal-Zellerfeld/D

P 4.13 Experimental investigations and kinetic modelling of highly-diluted low-temperature flames K. Moshammer, Universität Bielefeld/D; D. Mayer, H. Pitsch, RwTH Aachen/D; K. Kohse-Höinghaus, Universität Bielefeld/D

P 4.14 probing electronic coherence in molecules through high-harmonic spectroscopy P. Kraus, A. Gijsbertsen, H.J. wörner, ETH Zürich/CH

P 4.15 conformer-specific reactions with coulomb-crystallised ions Y. Chang, J. Küpper, Center for Free-Electron Laser Science, Hamburg/D; D. Rösch, S. willitsch, Universität Basel/CH

Physical-Chemical methods

P 5.01 optical properties of gold nanorods w. Friedrich, F. Schulz, K. Hoppe, H. weller, University of Hamburg/D

P 5.02 An amperometric oxygen titration method for po2 stability investigations on high-temperature mIEc oxides C. Niedrig, w. Menesklou, S.F. wagner, E. Ivers-Tiffée, Karlsruhe Institute of Technology/D

P 5.03 spectroscopic characterization of heteronuclear terpyridine complexes for spatially directed electron and energy transport M. wächtler, J. Kübel, R. Siebert, A. winter, U.S. Schubert, B. Dietzek, University of Jena/D

P 5.04 structural and electronic properties of Lin (n=2 to 54) clusters Y. Pang, Saarland University, Saarbrücken/D

P 5.05 structural and thermodynamic properties of Au2-58 clusters Y. Dong, Saarland University, Saarbrücken/D

P 5.06 chemical imaging of supersonic expansions J. Zischang, M.A. Suhm, Universität Göttingen/D

P 5.07 cathodoluminescence of Au- and Ag-tips, either free-standing or in tunneling contact with a Au-film M. Grüßer, X. Ma, R. Schuster, Karlsruher Institut für Technologie/D

P 5.08 A universal explicitly correlated correction for multi-reference methods R. Haunschild, Karlsruher Institut für Technologie/D; D. Mukherjee, Indian Association for the Cultivation of Science, Kolkata/IND; w. Klopper, Karlsruher Institut für Technologie/D

P 5.09 methodenvorstellung zur Analyse der wellenlängenabhängigen photopolymerisation multifunktioneller Arcylsäureester M. Schmitt, Saarland University, Saarbrücken/D

P 5.10 charge transfer kinetics of sns-nanoparticle monolayers S. Kittler, J. Poppe, S.G. Hickey, A. Eychmüller, TU Dresden/D

P 5.11 spectroscopy of individual semiconductor nanocrystals in solution S. Flessau, A. Mews, Universität Hamburg/D

P 5.12 FtIr jet spectroscopy of metastable aggregates of tert.-butyl alcohol S. Abraham, M.A. Suhm, Universität Göttingen/D

P 5.13 A multiscale modeling study of loss processes in block-copolymer-based solar cell nanodevices S. Donets, A. Pershin, S.A. Baeurle, University of Regensburg/D

P 5.14 solution-liquid-solid synthesis of semiconductor-nanowires T. Redder, M. Kobylinski, A. Mews, Universität Hamburg/D

P 5.15 synthesis of semiconductor cdse/cds Dotrods, sio2-coating and modification with gold E. Huber, Universität Hamburg/D

P 5.16 Kinetic monte carlo modeling of the hcl oxidation on ruo2(110): how far can one get with DFt? F. Heß, H. Over, Universität Gießen/D

P 5.17 modeling of reactions in heterogeneous cataysis: critical comparison of microkinetic modeling and kinetic monte carlo simulations F. Heß, H. Over, Universität Gießen/D

P 5.18 confirmation of particle diffusion in porous media by dynamic light scattering B. Over, B. Rathke, S. will, Universität Bremen/D


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P 6.17 Interaction of co with rutile (110) w. Dononelli, Th. Klüner, Universität Oldenburg/D

P 6.18 Ferrocene ultrathin films on nacl(100) B. Vogt, J. Vogt, Universität Magdeburg/D

P 6.19 LEED structure analysis of co and n2 adsorbed on the nacl(100) surface B. Vogt, J. Vogt, Universität Magdeburg/D

P 6.20 surface functionalization by ionic liquids: Ultrathin films of [5-oxo-c6c1Im][tf2n] on ceo2-x/cu(111) S. Schernich, Y. Lykhach, V. wagner, N. Taccardi, P. wasserscheid, H.-P. Steinrück, M. Laurin, J. Libuda, FAU Erlangen-Nürnberg, Erlangen/D; N. Tsud, T. Skála, V. Matolín, Charles University, Prague/CZ; K.C. Prince, Synchrotrone Trieste/I

P 6.21 photothermally induced bromination of organic monolayers on graphite M. Przyklenk, S. Franzka, N. Hartmann, Universität Duisburg-Essen, Essen/D

P 6.22 Adhesion force investigations of micro-particles on polymer surfaces J. Colson, O. Armbruster, S. Koprivica, w. Kautek, Universität wien/A

P 6.23 Importance of spatial resolution in catalytic reactors: gradients in the catalyst structure during the partial oxidation of methane A. Rochet, G. Hofmann, S. Baier, J.D. Grunwaldt, Karlsruhe Institute of Technology/D

P 6.24 probing shallow trapped electron states and related processes of tio2 with Uhv-IrrAs H. Sezen, C. Natzeck, A. Nefedov, C. wöll, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen/D

P 6.25 operando-spectroscopic study on the structure-function relationship of pd-doped sno2 gas sensors H.w. Pereira de Carvalho, Karlsruhe Institute of Technolgy/D; D. Degler, M. Hübner, J. Rebholz, B. Barsan, w. weimar, University of Tübingen/D; D.K. Pham, L. Mädler, Universität Bremen/D; J.D. Grunwaldt, Karlsruhe Institute of Technolgy/D

P 6.26 A setup for measuring adsorption isotherms on individual single-wall carbon nanotubes T. Hain, T. Hertel, Universität würzburg/D

P 6.27 Kinetic studies into the initial oxidation of ru(0001) to ruo2 J.C. Goritzka, B. Herd, D. Langsdorf, A. Farkas, S. Rohrlack, H. Over, Universität Gießen/D; O. Balmes, ESRF, Grenoble/F; A. Pietzsch, J. Knudsen, J. Schnadt, N. Johansson, E. Lundgren, J.N. Andersen, University of Lund/S; J.I. Flege, Universität Bremen/D

P 6.28 systematische studien zur Funktionalisierung anisotroper goldnanopartikel F. Brenner, C. Graf, Freie Universität Berlin/D

P 6.29 Adsorption and diffusion in thin films of nanoporous metal-organic frameworks: Ferrocene in sUrmoF cu2(bdc)2(dabco) L. Heinke, H. Gliemann, C. wöll, Karlsruher Institut für Technologie, Eggenstein-Leopoldshafen/D

P 6.30 h and D/ r-tio2(110): Adsorption, desorption and uptake N. Osterloh, Ruhr-Universität Bochum/D; F. Traeger, westfälische Hochschule, Recklinghausen/D; H.-w. Becker, D. Rogalla, Ruhr-Universität Bochum/D

solid state

P 7.01 Local structure and oxygen dynamics in ti/ta doped ceo2 investigated by 17o nmr spectroscopy R. Heinzmann, I. Issac, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen/D; J.-P. Eufinger, University of Gießen/D; G. Ulbrich, TU Berlin/D; J. Janek, University of Gießen/D; M. Lerch, TU Berlin/D; S. Indris, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen/D

P 7.02 synthesis, characterization and electrochemical properties of nanosized Fe2-xAlxo3 (x=0,0.2,0.3,0.5,0.7,1) I. Issac, R. Heinzmann, M. Kaus, S. Indris, Karlsruher Institut für Technologie, Eggenstein-Leopoldshafen/D

P 7.03 synthesis and spectroscopy of carbon nanowalls and few-layered graphene sheets with deposited metal nanoparticles M. Höltig, A. Mews, Universität Hamburg/D

P 7.04 c58 materials: thermally modified mechanical properties S. Ulas, S. Bundschuh, Karlsruher Institut für Technologie/D; S. Jester, Universität Bonn/D; C. Eberl, H. Hölscher, A. Böttcher, M. Kappes, Karlsruher Institut für Technologie/D

P 5.40 Imaging catalysts by hard x-rays: new opportunities of x-ray tomography and ptychography in the nanoscale G. Hofmann, Karlsruher Institut für Technologie/D; R. Hoppe, TU Dresden/D; J. Reinhardt, C.G. Schroer, TU Dreseden/D; J.-D. Grunwaldt, Karlsruher Institut für Technologie/D

P 5.41 In operando x-ray absorption spectroscopy studies at the AnKA synchrotron light source H. Lichtenberg, A. Boubnov, S. Mangold, Karlsruher Institut für Technologie, Eggenstein-Leopoldshafen/D; M. Casapu, D. Doronkin, H.w. Pereira de Carvalho, Karlsruher Institut für Technologie/D; M. Schubert, Karlsruher Institut für Technologie, Eggenstein-Leopoldshafen/D; J.-D. Grunwaldt, Karlsruher Institut für Technologie/D

P 5.42 new synthetic route towards nanostructured dye-sensitized nio layers and spectroscopic investigations M. Bräutigam, P. weyell, Friedrich-Schiller-University Jena/D; J. Popp, Institute of Photonic Technology Jena/D; F.H. Schacher, Friedrich-Schiller-University Jena/D; B. Dietzek, Institute of Photonic Technology Jena/D

interfaces

P 6.01 surface activated dedeuteration of deuterofullerenes S. Ulas, P. weis, A. Böttcher, M. Kappes, Karlsruher Institut für Technologie/D

P 6.02 thermal analysis of heat transfer from v2A-steel surface M. Schmitt, Saarland University, Saarbrücken/D

P 6.03 Determination of retention forces by contact angle measurements on rough solid surfaces using sessile drop methods M. Schmitt, F. Heib, Saarland University, Saarbrücken/D

P 6.04 morphology of photo-switchable azobenzene monolayers S. Riaz, G. Friedrichs, University of Kiel/D

P 6.05 reversible switching between Eu(II) and Eu(III) in ultrathin films S. Matz, M. Ahlf, J. Bruns, M. wickleder, K. Al-Shamery, University Oldenburg/D

P 6.06 steady state evaporation of nanodroplet using non-equilibrium molecular dynamics simulations J. Zhang, F. Leory, F. Müller-Plathe, TU Darmstadt/D

P 6.07 Whispering gallery modes in Zno microspheres for sensitive optical spectroscopy R. Moirangthem, A. Erbe, Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf/D

P 6.08 reactive wetting effects of silicon on silicon dioxide L.D. Alphei, V. Becker, R. Grotjahn, R. Janhsen, J.A. Becker, Leibniz Universität Hannover/D

P 6.09 Electrochemical studies of crAln coatings deposited by high power pulsed magnetron sputtering M. wiesing, O. Ozcan, C. Kunze, S. waschke, Universität Paderborn/D; R. Brugnara, K. Bobzin, RwTH Aachen/D; G. Grundmeier, Universität Paderborn/D

P 6.10 Emission properties of quantum dots affected by the ligand shell – theory and experiment S. Leubner, TU Dresden/D; S. Hatami, BAM Bundesanstalt für Materialforschung und -prüfung, Berlin/D; T. Lorenz, J.-O. Joswig, N. Gaponik, TU Dresden/D; U. Resch-Genger, BAM Bundesanstalt für Materialforschung und -prüfung, Berlin/D; A. Eychmüller, TU Dresden/D

P 6.11 Multi in situ spectroscopy of ceo2 and Au/ceo2 M. Lohrenscheit, C. Hess, TU Darmstadt/D

P 6.12 Interaction of water with rutile (110) J. Mitschker, Th. Klüner, Universität Oldenburg/D

P 6.13 Functional single-layer graphene sheets by conversion of organic monolayers D.G. Matei, N.-E. weber, Universität Bielefeld/D; S. Kurasch, Universität Ulm/D; S. wundrack, M. woszczyna, M. Grothe, T. weimann, F. Ahlers, R. Stosch, Physikalisch-Technische Bundesanstalt, Braunschweig/D; U. Kaiser, Physikalisch-Technische Bundesanstalt, Ulm/D; A. Turchanin, Universität Bielefeld/D

P 6.14 vibrational sum frequency generation study of the 2D phase behavior of Langmuir monolayers J. Kleber, G. Friedrichs, Universität zu Kiel/D

P 6.15 What is the contact angle of water on graphene? F. Taherian, V. Marcon, N.F.A. van der Vegt, F. Leroy, TU Darmstadt/D

P 6.16 In situ DrIFts on alkali salt-modified supported catalysts for methanol steam reforming A. Kaftan, M. Kusche, B. Morain, H. Niedermeyer, P. wasserscheid, M. Laurin, J. Libuda, FAU Erlangen-Nürnberg, Erlangen/D


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P 7.27 co oxidation over flame made manganese oxide catalysts M. Tepluchin, M. Casapu, Karlsruher Institut für Technologie/D; D.K. Pham, L. Mädler, University of Bremen/D; J.-D. Grunwaldt, Karlsruher Institut für Technologie/D

P 7.28 structure and reducibility of a Fe/Al2o3 catalyst for scr studied by in situ Fe K-edge xAFs spectroscopy A. Boubnov, H. Lichtenberg, Karlsruher Institut für Technologie/D; S. Mangold, Karlsruher Institut für Technologie, Eggenstein-Leopoldshafen/D; J.-D. Grunwaldt, Karlsruher Institut für Technologie/D

P 7.29 Impact of mixed cation effect on Li diffusivity in channel-structured Lixna2-xti6o13 K. Volgmann, P. Heitjans, Leibniz Universität Hannover/D

P 7.30 Luminescence of Eu2+ in Lisrh3, Libah3 and the corresponding deuterides N. Kunkel, M. Springborg, Universität des Saarlandes, Saarbrücken/D; H. Kohlmann, Leipzig University/D; A. Meijerink, Utrecht University/NL

P 7.31 Amorphe stoffe aus kleinen organischen molekülen H.K. Cammenga, TU Braunschweig/D; K. Gehrich, Südzucker AG, Offstein/D

liquid state

P 8.01 Investigation of Li diffusion and transference numbers of ionic liquid based electrolytes by 7Li nmr R. Heinzmann, A. Hofmann, M. Schulz, S. Indris, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen/D

P 8.02 hydration of the osmolyte ectoine in water and aqueous nacl A. Eiberweiser, A. Nazet, T. Rück, R. Buchner, University of Regensburg/D

P 8.03 proton conductivity in mIL53Al-moF structures E. Eisbein, J.-O. Joswig, G. Seifert, TU Dresden/D

P 8.04 thermostatted ice growth from supercooled water in simulations follows Wilson-Frenkel kinetics V.C. weiss, T. Frauenheim, University of Bremen/D

P 8.05 Quantum optics and photoacids M. Vester, Saarland University, Saarbrücken/D

P 8.06 Ultrafast photoinduced dynamics of the 3,6-diaminoacridinium derivative Atto 465 in liquids J. Arden-Jacob, K.H. Drexhage, S.I. Druzhinin, M. Ekimova, O. Flender, T. Lenzer, K. Oum, Universität Siegen/D; M. Scholz, MPI für biophysikalische Chemie, Göttingen/D

P 8.07 A full-dimensional and reactive neural network potential for water clusters based on density-functional theory T. Morawietz, K.N. Suresh, J. Behler, Ruhr-Universität Bochum/D

P 8.08 Extracting thz features of ions: Experimental and theoretical investigation of lanthanides hydration V. Sharma, Ruhr University Bochum/D

P 8.09 vertical photoionization of liquid-to-supercritical ammonia: thermal effects on the valence-to-conduction band gap J. Urbanek, J. Lindner, P. Vöhringer, Universität Bonn/D

P 8.10 Utilization of n-methyl-6-oxyquinolinium betaine for probing inter- and intramolecular interactions in ionic liquids S. Schmode, Universität Rostock/D; N.P. Ernsting, Humboldt-Universität zu Berlin/D; R. Ludwig, Universität Rostock/D

P 8.11 recombination dynamics of solvated electrons in liquid-to-supercritical methanol A. Gehrmann, J. Lindner, P. Vöhringer, Universität Bonn/D

P 8.12 Interaction power of anions in ionic liquids converts solvent separated into contact ion pairs M. Strauch, F. Kubatzki, C. Roth, R. Ludwig, Universität Rostock/D

P 8.13 physicochemical properties of glyme-lithium salt mixtures – Experiments and simulations A. Bonsa, A. Appelhagen, J.K. Lehmann, R. Ludwig, Universität Rostock/D

P 8.14 polarisability in ionic liquids C. Schröder, M. Schmollngruber, O. Steinhauser, Universität wien/A

P 8.15 Femtosecond two-dimensional infrared spectroscopy of thiocyanate anions in water D. Czurlok, D. Ehmer, J. Lindner, P. Vöhringer, Universität Bonn/D

P 7.05 relationship of nanoparticle morphology and superstructure ordering of gold-mesocrystals D. Haubold, L. Liebscher, TU Dresden/D; P. Simon, Max Planck Institute for Chemical Physics of Solids, Dresden/D; S.G. Hickey, A. Eychmüller, TU Dresden/D

P 7.06 cathodoluminescence of gold surfaces patterned by electron beam lithography using self-assembled monolayers of alkanethiolates as resists X. Ma, M. Grüßer, R. Schuster, Karlsruher Institut für Technologie/D

P 7.07 cadmium doped lead selenide nanorods emitting in the imaging window C. Bothe, A. Kornowski, H. weller, University of Hamburg/D

P 7.08 synthesis of rare-earth trifluoride nanoparticles based on small sacrificial particles A.N. Raj, V. Jendrock, T. Rinkel, M. Haase, Universität Osnabrück/D

P 7.09 Enhanced photo-luminescence of naEuF4 nanocrystals through ligands with broadband absorption and high extinction coefficents S. Dühnen, B. Voß, M. Haase, Universität Osnabrück/D

P 7.10 monodispersed sub-10 nm sized naLnF4 nanocrystals of the lighter lanthanides La, ce, pr and nd A. Naduviledathu Raj, S. Dühnen, M. Haase, University of Osnabrück/D

P 7.11 core-shell-structures of cuIns2/Zns nanorods and cuIns2-Au-linking via polyelectrolytes B. Kempken, J. Parisi, J. Kolny-Olesiak, Universität Oldenburg/D

P 7.12 controlling the optical properties of quantum-dot-based gels A. wolf, TU Dresden/D; V. Lesnyak, Istituto Italiano di Tecnologia, Genova/I; N. Gaponik, A. Eychmüller, TU Dresden/D

P 7.13 größenabhängige Eigenschaften polarer oxidischer nanokristalle K. Kömpe, M. Imlau, Universität Osnabrück/D

P 7.14 synthese von naturnahem hydroxylapatit M. Plein, A. Schlepphorst, D. Stoppel, K. Thierbach, K. Kömpe, Universität Osnabrück/D

P 7.15 highly sensitive absorption and loss spectroscopy w. Paa, C. Mühlig, T. Zeuner, Institut für Photonische Technologien e.V., Jena/D

P 7.16 Untersuchung der Durchmischung von naEuF4 und naYF4 vorläuferpartikeln zu Eu3+-dotierten ß-naYF4 F. Carl, B. Voß, M. Haase, Universität Osnabrück/D

P 7.17 synthesis of highly luminescent zinc containing indium phosphide nanoparticles G.M. Stachowski, S.G. Hickey, A. Eychmüller, TU Dresden/D

P 7.18 co oxidation by supported iron catalysts: A multi-dimensional spectroscopic approach R. Schoch, M. Bauer, TU Kaiserslautern/D

P 7.19 synthesis, characterisation and surface modification of III-v nanocrystals for biomedical applications S. wölper, A. Kornowski, H. weller, University of Hamburg/D

P 7.20 oxygen diffusion in mayenite M. Teusner, R.A. De Souza, RwTH Aachen/D; H. Krause, S.G. Ebbinghaus, Universität Halle-wittenberg, Halle (Saale)/D; M. Martin, RwTH Aachen/D

P 7.21 Investigation of the formation mechanism of ß-ga2o3 H. Schraknepper, R.A. De Souza, M. Martin, RwTH-Aachen University/D

P 7.22 Low-temperature luminescence study of novel naYF4-based upconversion nanoparticles (Ucnp) co-doped with (gd:Yb:Er) D. Klier, Universität Potsdam/D; S.-H. Kung, E. Rühl, Freie Universität Berlin/D; M. Kumke, Universität Potsdam/D

P 7.23 natural chabazite for nox-removal – Looking at the active sites using in situ x-ray absorption spectroscopy T. Günter, M. Casapu, J.-D. Grunwaldt, Karlsruher Institut für Technologie/D

P 7.24 time-resolved fluorescence spectroscopy of individual semiconductor dot-in-a-rod nanocrystals at low temperature Ch. Strelow, E. Huber, T. Kipp, A. Mews, Universität Hamburg/D

P 7.25 size and shape control of copper tin sulfide nanocrystals M. Kruszynska, J. Parisi, J. Kolny-Olesiak, Universität Oldenburg/D

P 7.26 mechanochemistry: From mechanical degradation to novel materials properties V. Sepelák, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen/D; K.D. Becker, TU Braunschweig/D


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P 8.16 Investigation of ferrous and ferric ions in aqueous solution via terahertz spectroscopy F. Böhm, V. Sharma, G. Schwaab, M. Havenith, Ruhr-Universität Bochum/D

P 8.17 comparison of sonication and shear-mixing for the dispersion of single-wall carbon nanotubes T. Hefner, S. Stahl, Universität würzburg/D; D.E. Resasco, University of Oklahoma, Norman/USA; T. Hertel, Universität würzburg/D

P 8.18 carbon 1s binding energies of hydrated alcohols and acids I. Jordan, H.J. wörner, J.A. van Bokhoven, M.A. Brown, ETH Zürich/CH

P 8.19 Dendritic freezing of supercooled water droplets: study of electric charge separation T. Buttersack, S. Bauerecker, TU Braunschweig/D

P 8.20 spectroscopic analyses on the excited states and reactivity of homo- and hetero nuclear transition metal complexes in solution A. Grün, R. Schepper, Y. Schmitt, TU Kaiserslautern/D; F. Armbruster, F. walz, S. Styra, S. Gonzalez-Gallardo, Karlsruher Institut für Technologie/D; K. Salih, w.R. Thiel, TU Kaiserslautern/D; F. Breher, Karlsruher Institut für Technologie/D; M. Gerhards, TU Kaiserslautern/D

P 8.21 Ultrafast reversible switching dynamics and solvation shell rearrangements of a photo-switchable catalyst tracked from femto to nanoseconds M. Pescher, L. Van wilderen, Universität Frankfurt/D; S. Gruetzner, S. Hecht, Humboldt-Universität zu Berlin, Berlin/D; J. Bredenbeck, Universität Frankfurt/D

P 8.22 molecular association in statistical thermodynamics w. Schröer, Universität Bremen/D

P 8.23 the phase behavior of mixtures of 1-alkyl-3-methylimidazonium bis(trifluoromethylsulfonyl)amides with n-alkyl-alcohols B. Rathke, w. Schröer, Universität Bremen/D

electrochemical interfaces

P 9.01 recycling of tantalum capacitors using an ionic liquid L. Spitczok von Brisinski, D. Goldmann, F. Endres, TU Clausthal, Clausthal-Zellerfeld/D

P 9.02 Absorption and photoluminescence-spectroscopy of single-wall carbon nanotubes under potentiostatic control H. Hartleb, C.L. Rider-Dobson, T. Hertel, Universität würzburg/D

P 9.03 microcalorimetric study on the mechanism of electrochemical deposition and dissolution of silver K.R. Bickel, R. Schuster, Karlsruher Institut für Technologie/D

P 9.04 Electrochemical tuning of magnetism of g-Fe2o3 nanoparticles studied by sQUID magnetometry combined with in situ cyclic voltammetry S. Topolovec, TU Graz/A; H. Krenn, Universität Graz/A; R. würschum, TU Graz/A

P 9.05 Electrochemical adsorption and deposition processes studied by time-resolved surface plasmon resonance A.E. Timm, D. Nattland, R. Schuster, Karlsruher Institut für Technologie/D

P 9.06 In situ-ramanspektroskopie an Lithium-Ionen-batterien T. Groß, C. Hess, TU Darmstadt/D


19:30 – 22.00 Welcome reception (Festsaal Studentenwerk KIT)

Opening dinner with hot and cold buffet and beverages. Admission is free, but advance online registration is requested.

Please tick the appropriate box on the online registration form.


10:00 – 11:30 guided tour of the “bundesgerichtshof” (Federal Court of Justice in Karlsruhe) (Language: German)

Admission is free, but advance registration is required, since the number of participants is limited to 35 persons.

registrations should be sent directly to mrs. Dagmar Wagner ([email protected]) before April 19, 2013.

pLEAsE notE: You will must provide a copy of your identity card or passport when registering. Please also bring the document with you by the visit.

18:00 – 22:00 poster session

The Poster Session allows for in-depth exchange of latest research achievements and developments in an informal atmosphere while enjoying a snack and drink with friends and colleagues.

Admission is free, but advance online registration is requested. Please tick the appropriate box on the online registration form.


10:00 – 12:00 guided Walking tour of Karlsruhe (Language: English)

price: 10 € (incl. 19% VAT) registrations should be sent directly to mrs. Dagmar Wagner ([email protected])

before April 19, 2013.

pLEAsE notE: Tickets for the Guided walking Tour can be cancelled without charges before April 19, 2013. Cancellations received thereafter will not be eligible for any refund.

From 19:00 conference Dinner at ZKm Karlsruhe (Foyer) ZKM – Zentrum für Kunst und Medientechnologie Karlsruhe (Center for Art and Media Karlsruhe) Lorenzstraße 19, 76135 Karlsruhe

price: 55 € (incl. 19% VAT), incl. food and drinks The dinner price also includes a “bunsentagung” guided tour through the ZKm from 18:00 on.

Additionally, conference dinner participants will have free access to the museum all day on Saturday. Advance online registration for the conference dinner and the ZKm guided tour is required.

Please tick the appropriate box on the online registration form.

pLEAsE notE: Conference Dinner tickets can be cancelled without charges before April 5, 2013. Cancellation received thereafter will not be eligible for any refund.

the Karlsruhe tourism department offers a variety of cultural events and visitors programmes. For further information please consult the website www.karlsruhe-tourismus.de.

postEr progrAmmE socIAL progrAmmE

ausfelder

Notiz

Blocksatz?


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gEnErAL InFormAtIon gEnErAL InFormAtIonBunSenTagung 2013 · karlSruhe

rEgIstrAtIon FEEs1)

registration fees until march 27, 2013

Personal Members of the German Bunsen Society 110 €

Non-Members 140 €

Students2) (proof of status required, no Ph.D. students)

35 €

Accompanying Person3) 25 €

registrations after march 27, 2013 will be charged a 20 € late fee (except for accompanying person).

1) No VAT requested according § 4.21 USTG2) Students enrolled in Bachelor and Master Courses only. Ph.D. students will be charged the regular registration fee.3) Participation to the welcome Reception on May 10, 2013 and the Poster Session on May 11, 2013 are only included.

The conference ticket includes a book of abstracts, a list of participants, meals and beverages during the welcome reception, the poster session and the coffee breaks.

Lunches are not included in the registration fee. Lunch tickets for the KIT Mensa on Friday (May 10) and Saturday (May 11) will cost 12 € each. It is highly recommended to add lunch tickets to your registration, since there are very few opportunities for having lunch nearby the conference venue.

rEgIstrAtIon

Please register online at www.bunsentagung.de.

Registration is possible, subject to capacity in the lecture rooms, up to the beginning of the conference. Publication deadline of the list of participants is April 19, 2013. It is not guaranteed that registrations received later will appear in the list.

Conference ticket, book of abstracts and list of participants will be handed out on-site.

pAYmEnt

Due to organisational constraints we can only accept payment by credit card. You will receive an invoice by mail after your registration has been booked.

cAncELLAtIon

only written cancellations will be accepted (letter, fax or e-mail). 30 € administrative costs will be charged for cancellations made before April 19, 2013. Later cancellations will be subject to a charge equal to 80% of the registration fee. From the conference date on, no refund is possible. If the event is cancelled by the German Bunsen Society, the full fees will be refunded. Further claims for compensation are excluded.

special Cancellation Policy for social activities: conference Dinner: Conference Dinner tickets can be cancelled without charges before April 5, 2013. Cancellations received later will not be eligible for any refund.

guided Walking tour of Karlsruhe: Tickets for the Guided walking Tour can be cancelled without charges before April 19, 2013. Cancellations received later will not be eligible for any refund.

AccommoDAtIon

You can access a list of hotels with special rates on the conference website www.bunsentagung.de, via the item “Accommo-dation”.

Reservations should be directly made to the hotel by the participants. Special rates are subjected to hotel contingent capacity.

If you have any questions or need further information on hotel reservation, please contact directly the Karlsruhe tourism department (Mrs. Stephanie Sivic, Phone: +49 (0)721 3720 5393, E-Mail: [email protected]) or check www.karlsruhe-tourismus.de.

vEnUE

KIT – Karlsruhe Institute for TechnologyCampus SouthFritz-Haber-weg 276131 Karlsruhe

hoW to rEAch thE vEnUE

Karlsruhe is easy to travel to. The city has excellent connections to at least 4 airports (Frankfurt, Stuttgart, Strasbourg and Karlsruhe/Baden-Baden) and is quick to reach from the motorway (A5, A61, A8, A5).Karlsruhe is also a hub for InterCityExpress (ICE), InterCity, EuroCity, InterRegio trains and offers direct connection from Paris with TGV trains.From the Karlsruhe Railway Station you can reach the KIT-Campus South by tramways (station: “Durlacher Tor/KIT Campus Süd” or “Kronenplatz”).

pLEAsE notE: Construction works could affect the public transport services in Karlsruhe. Regularly updated information on route changes is available at www.kvv.de.

On the conference website www.bunsentagung.de, under the menu “Venue/How to reach the venue”, you´ll find detailed driving directions to the KIT-Campus South, as well as information on reduced fare railway tickets to DECHEMA events.

parking Information: During the Bunsentagung participants can use the parking spaces of the KIT-Campus South (entrance from “Durlacher Tor”), except on may 10, 2013. Due to a public holiday in Germany on May 10, 2013 the entrance to KIT-Campus South will be closed. Please use the multistorey car parks “waldparkplatz” (free of charge - Address: Adenauerring - 76133 Karlsruhe) or “Schlossplatz” (subject to charge - Address: Am Schlossplatz - 76133 Karlsruhe)

opEnIng hoUrs on-sItE conFErEncE oFFIcE

Thursday, May 9, 2013 11:00 – 19:00 Friday, May 10, 2013 07:30 – 19:00Saturday, May 11, 2013 08:00 – 17:00

A separate counter for student travel grants will be open on Friday from 09:00 to 18:00.

contActs

For information on conference, lecture and poster programme, registration and book of abstracts, please contact:

Ms Daniela SaboloDECHEMA e.V.Theodor-Heuss-Allee 2560486 Frankfurt am Main/DPhone: +49 (0)69 7564-243Fax: +49 (0)69 7564-176E-mail: [email protected]

For information on meetings of the german bunsen society, awards and exhibitors/sponsoring invoices:

Mrs Erika wöhlerDeutsche Bunsen-Gesellschaft für Physikalische Chemie e.V.German Bunsen Society for Physical ChemistryTheodor-Heuss-Allee 2560486 Frankfurt am Main/DPhone: +49 (0)69 7564-621Fax: +49 (0)69 7564-622E-mail: [email protected]


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BunSenTagung 2013 · karlSruhegEnErAL InFormAtIon gEnErAL InFormAtIon

conFErEncE LAngUAgEs

The official languages of the conference are English and German.

Authors are expected to give their presentation (oral or poster) in the language used in the title published in the conference programme.

pLEAsE notE: Simultaneous translation will not be available.

postEr sEssIon AnD postEr AWArDs

Posters will be on display during the entire conference. There will be a dedicated Poster Session on Friday, May 10, 2013 from 18:00 – 22:00. Authors are asked to be present at their own poster during the Poster Session for discussion.

The standard size for all posters is 0,85 m x 1,2 m (DIn A 0 – german standard) vertically oriented. Material to mount the posters will be available at the on-site conference office. It is the presenter’s own responsibility to set-up the presentation on the assigned poster board and to remove it at the end of the conference.

Posters will be reviewed by a jury during the Poster Session on Friday evening. Presentations will be evaluated according to the following criteria:

Significance and originality of the work

Quality of the poster presentation

Outstanding scientific achievement A total of 8 presentations will be selected to receive the “Best Poster Award” of 150 € each and free admission to the next Bunsentagung 2014 in Hamburg for the main author. Additionally, another 8 presentations will be selected to receive a “Hot Topic” Poster Award Certificate, which grants free admission to the next Bunsentagung 2014 in Hamburg for the main author.

The Poster Award will take place during the Closing Ceremony on Saturday 11, 2013 at 16:00.

Authors of the selected posters are invited to hold a short presentation of their work (1-2 PowerPoint slides only, best prepared in advance of the conference).

only authors present at the closing ceremony will be awarded.

© Universität Leipzig

KArrIErEForUm (in German only)

thursday, may 9, 2013 11:30 – 14:45 (Room: CRIEGEE)

Topic: “Anträge, stipendien, nachwuchsgruppe – Fördermöglichkeiten für nachwuchswissenschaftler“

The „Karriereforum“ is an annual symposium organised by the Karriereforum working group of the German Bunsen Society. The symposium aims at scientists in earlier stages of their careers (between PhD and first appointment as a professor), and provides a forum for discussion of and exchange on career related issues and questions.

Admission is free, but advance online registration is required. Please tick the appropriate box on the online registration form.

Information material will also be available at the “Karriereforum” stand at the accompanying exhibition.

Jede wissenschaftlerin und jeder wissenschaftler ist in ihrem/seinem Berufsleben etliche Male mit dem Schreiben von Projek-tanträgen beschäftigt. Ob DFG-Einzelantrag, die Finanzierung der eigenen Stelle oder der Nachwuchsgruppe, das Stipendium, der Auslandsaufenthalt oder die Rückkehr aus dem Ausland, immer steht das Verfassen eines Förderantrages oder eines Projektplanes an der ersten Stelle. wie funktioniert eine solche Antragstellung? welche Elemente hat ein solcher Projektplan? welche Formalien und Fristen müssen dabei beachtet werden? welche Fördermöglichkeiten gibt es überhaupt, speziell zu Anfang der wissenschaftlichen Laufbahn?

Vorläufiges Programm

11:30 Eröffnung Karriereforum M. Schnell, Center for Free-Electron Laser Science, Hamburg/D D. Samuelis, Max Planck Institute for Solid State Research, Stuttgart/D

11:45 Fördermöglichkeiten für nachwuchswissenschaftler NN, Deutscher Akademischer Austauschdienst, Bonn/D (angefragt)

12:20 Mittagspause

13:00 Fördermöglichkeiten für Auslandsaufenthalte und rückkehr NN, Alexander-von-Humboldt-Gesellschaft (angefragt)

13:35 Die DFg informiert – Förderung des wissenschaftlichen nachwuchses K. winkler, Deutsche Forschungsgemeinschaft (DFG), Bonn/D; P. Nürnberger, Universität würzburg/D

14:20 Diskussion

14:50 Ende der Veranstaltung

In der Mittagspause am Freitag, den 10. Mai findet die jährliche Mitgliederversammlung der Arbeitsgemeinschaft Bunsen-Karriereforum statt. Der Ort und die genaue Zeit wird noch bekannt gegeben. Mitglieder und Interessierte sind herzlich zur Teilnahme eingeladen.

LIQUID-crYstAL ExhIbItIon At KIt

while attending the Bunsentagung in Karlsruhe, you should not miss the opportunity to visit the permanent liquid-crystal exhibition of the German Bunsen Society. The exhibition is accessible in the ground floor of the building “Flachbau Physik” (Geb: 30.22) in front of “Otto Lehmann-Hörsaal”. The exhibition features samples and descriptions of the progress made in the development of liquid crystals and their applications.

chILD cArE

The Bunsentagung offers the opportunity for child care service (subject to extra charge) to parents of small children during the event. Interested parents are requested to contact mrs Dagmar Wagner ([email protected]) to discuss their needs.

IntErnEt sErvIcE

Free internet access via wLAN will be available for all participants during the conference.

more and regularly updated information on the conference is available at

www.bunsentagung.de

© T. hefrich – wikipedia

© Bildstelle Stadt karlsruhe © Bildstelle Stadt karlsruhe

ausfelder

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Blocksatz

ausfelder

Notiz

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ausfelder

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Zeilenabstand?

ausfelder

Notiz

14:45


44 45

BunSenTagung 2013 · karlSruhe vEnUE ovErvIEWvEnUE ovErvIEW

On-site Conference Office / Poster Session (AUDIMAX)

Lecture Room (AUDIMAX)

Lecture Rooms (Hörsaal I + II + III, Criegee)

Lecture Room (Neuer Chemiehörsaal)

Lecture Room (AOC101)

Exhibition (Flachbau Chemie)

Liquid-Crystal Exhibition (Flachbau Physik)

welcome Reception (Alte Mensa)

KIT-Mensa (Lunch)

Durlacher Tor4, 5, S2

Karl-Wilhelm-Platz4, 5

Durlacher Tor1, 2, S4, S5

Marktplatz2, 5, S1, S11, S4, S41

Marktplatz1, 2, 3, 4, 5, S1, S11, S2, S4, S41, S5

3

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01.90

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Edelsheimstraße

Kornblumenstraße

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Fritz-Erler-Straße

Waldhornstraße

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Simon-M

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BauamtGastdozentenhaus

Forstschule

Sportanlagen

10.40

10.30

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10.31

10.32 10.34

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01.51

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30.12 30.11

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20.13

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20.50 20.51 20.52

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229

LAGEPLAN CAMPUS SÜD

Richtung

Campus Ost

(ehemaliger S

tandort Mackensen)

Ein

fah

rtN

ord

Campus NordPostanschrift: Hermann-von-Helmholtz-Platz 176344 Eggenstein-Leopoldshafen

Campus SüdPostanschrift: Kaiserstraße 1276131 Karlsruhe

A5

Ausfahrt Karlsruhe Durlach

Basel/Stuttgart

Frankfurt

Durlacher Allee

Südtangente

eßartssgeirK

eßartsektloM

KaiseralleeeßartsresiaK

Her

tzst

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Kapellen-

straße

Rei

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Haid-und-Neu-St

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Hagsfelder

Allee

lly-Bran

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Hirten-weg

Rintheimer

Allee

AdenauerringWesthochschule

Campus Ost

Campus Süd

Rich

tun

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amp

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ord

Rintheimer Querallee

Hirtenweg

Büchiger Allee

Hag

sfel

der A

llee

70.01

70.3070.02

70.20

70.18

70.16

70.15A

70.14A70.25

70.13A

70.19

70.24

70.24

70.13

70.11

70.99

Lagercontainer

70.04

70.03

70.17

Einfahrt

70.26

70.12

70.14

70.21

70.22

Richtung Ostendorfhaus und Standort Westhochschule

Eggenstein-Leopoldshafen

Karlsruhe A5Durlacher Allee

Moltkestr.

Basel/Stuttgart

Ausfahrt Karlsruhe Durlach

Frankfurt

Karlsruhe

Graben-Neudorf

36

L558

L559

Adenauerring

Campus Nord

Ostendorfhaus

Campus Ost

Campus Süd

KIT-Standorte Karlsruhe

Westhochschule

KIT-Standorte Deutschland

Karlsruhe

Dresden

Garmisch

Black Forest Observatory

Her

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Karlsruher Weg

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06.31

06.32

06.33 06.4

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06.3

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06.3

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06.37

06.4

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06.4

6

06.4

5

06.47

06.36

06.3

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Einfahrt

06.60

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Web

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Bee

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stra

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Mozartstraße

Moltkestraße

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Nöthnitzer Str.

Hallwachsstraße

Helm

ho

ltzstraße

Zeuner Str.

Dül

fers

traß

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Kre

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ckb

ahn

stra

ße

3101

Standort OstendorfhausWeberstraße 576133 Karlsruhe

Standort DresdenProjektträger Karlsruhe – Außenstelle Dresden

Hallwachsstraße 301069 Dresden

Standort GarmischInstitut für Meteorologie und Klimaforschung (IMK-IFU)

Kreuzeckbahnstraße 1982467 Garmisch-Partenkirchen

Richtung Garmisch-Partenkirchen und B23

Richtung Kreuzeck-/Alpspitzbach

Campus Ost(ehemaliger Standort Mackensen)

Lieferadresse: Rintheimer Querallee 276131 Karlsruhe

Richtung Campus Süd

Standort Westhochschule

Hertzstraße 1676187 Karlsruhe

30 80

40.11

40.12

40.13

40.1

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.19

40.0

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40.21 40.

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40.27

40.29

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44400 2227744400.22277

777771

3

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2444444Süd-Standort-Suche

Service-Telefon +49 721 608 100008.00 – 18.00 Uhr

Hörsäle:

70 F 7 .rtsrelgnE )04.02( laasröH reuen ,eläsröH-rutketihcrA70 F 5 .rtS-dlonrA-treblegnE )01.11( laasröH-dlonrA60 H 1 muroF ma eßartS )59.03( muroF ma laasröH ,XAMIDUA

Bauingenieure, großer und kleiner Hörsaal (10.50) Reinhard-Baumeister-Platz 1 I 0880 G 2 geW-tlessuN-mlehliW )12.01( laasröH-zneB50 G 6-2 geW-rebaH-ztirF )14.03( III-I eläsröH eimehC60 G 51 .rtsressegnE )64.03( laasröH reueN ,eimehC50 G 6-2 geW-rebaH-ztirF )14.03( laasröH-eegeirC80 G 2 geW-tlessuN-mlehliW )12.01( laasröH-relmiaD70 F 7 .rtsrelgnE )04.02( laasröH-nnamreiE70 F 5 .rtS-dlonrA-treblegnE )01.11( laasröH renielK ,kinhcetortkelE80 H 1 ztalP-nammA-ottO )18.01( laasröH-ressegnE40 G 1 gniR-etnuB-relgnE )11.04( laasröH-etnuB-relgnE40 J 7 .rtS-znarF-drahttoG )53.05( laasröH-netragnenasaF60 E 7 .rtsressegnE )22.03( laasröH-edeaG60 F 9 .rtsressegnE )12.03( laasröH-neshtreG80 F 4 .rtS-dlonrA-treblegnE )19.01( laasröH-fohsarG80 F 21 .rtsresiaK )11.01( laasröH-ztreH

HMU (jetzt Benz-Hs) und HMO (jetzt Daimler-Hs) (10.21) Wilhelm-Nusselt-Weg 2 G 0860 F 11 .rtsressegnE )53.03( laasröH-kinhcetsgnunnapshcoH60 C 31 krizebssolhcS )31.02( laasröH ssolhcS ma muigelloK60 E 7 .rtsressegnE )22.03( laasröH-nnamheL

60 G 31 .rtsressegnE )43.03( laasröH-kinhcetthciLMaschinenbau, oberer und mittlerer Hörsaal (10.91) Engelbert-Arnold-Str. 4 F 08

60 G 1 geW-rebaH-ztirF )33.03( laasröH-kinhcetsseM80 G 01 .rtsresiaK )32.01( laasröH-tlessuN50 E 5 .rtsressegnE )01.03( laasröH-ITN60 E 7 .rtsressegnE )22.03( eläsröH-kisyhP40 I 12 gniR-etnuB-relgnE )23.04( laasröH-knalP80 F 4 .rtS-dlonrA-treblegnE )19.01( laasröH-rehcabnetdeR80 H 1 ztalP-nammA-ottO )18.01( laasröH-kcobheR30 H 51 gniR-etnuB-relgnE )04.04( laasröH-tutitsnitropS70 F 11 .rtsrelgnE )04.11( laasröH-alluT

Herausgeber Karlsruher Institut für Technologie | Kaiserstraße 12 | 76131 Karlsruhe

Kontakt Technische Infrastruktur und Dienste - TID | Liegenschaftsmanagement (TID-SLM) [email protected]

Stand: April 2011

100 m

100 m

N

N

1 11 1

2 22 2

3 33 3

4 4

5 5

6 6

7 7

8 8

9 9

A

A

A

B

B

B

C

C

C

D

D

D

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E

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F

F

G

G

H

H

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100 mN

L

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KIT – Universität des Landes Baden-Württemberg und nationales Forschungszentrum in der Helmholtz-Gemeinschaft www.kit.edu

8

9

NML

Warnhinweise

Interne Notrufnummer 3333

Auf dem Campus gilt die Straßenverkehrsordnung.

Höchstgeschwindigkeit 30 km/h.

In ausgewiesenen Verkehrs- bereichen Schrittgeschwindigkeit.

Vorfahrtsregel „rechts vor links“ beachten.

Sicherheitsbereiche dürfen nur unter Beachtung örtlicher Regularien betreten werden.

Fritz-Erler-Str. 23 Geb.-Nr. 01.86

Kronenstr. 30, 32, 34 Geb.-Nr. 01.92, 01.93, 01.94

Karl-Friedrich-Str. 17 Geb.-Nr. 08.03

Waldparkplatz

Innenstadt (City)

Karlsruher Schloss

Schlossplatz

Kronenplatz1, 3, 4, 5, S2, S4, S5

© Jesterwr – wikipedia

Dur

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5, S

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Kar

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41, S

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Karl-

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Edel

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Ko

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Frau

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netrag

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Parkstraße

Vincenz-Prießnitz-Straße

Adenauerring

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geW-tle

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Rudolf-Plank-Str.

Fritz-Haber-Weg

Wolfgang-Gaede-Straße

Irene.-Rosenberg.-Str.

Wald

hornstr

aße

Kronenstraße

Fritz-Erler-Straße

Waldhorn

straße

Schl

ossp

latz Zi

rkel

Engl

erst

raße

Simon-M

oser-W

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Lehmannstraße

Neuer Zirkel

R.-B

aum

eist

er-P

latz

Ott

o-A

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ann

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tz

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stra

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Kreuzstraße

fo

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Kapell

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W.-Jordan-Weg

Straße am Forum

Einfahrt

10.50

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den

ten

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10.4

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10.3

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10.31

10.3

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10.33

KIT

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01.5

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01.5

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30.1

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Theory meets Spectroscopy - Bunsen · Ulrich nienhaus Karlsruhe Institute of Technology/D matthias olzmann Karlsruhe Institute of Technology/D marcell peuckert Infraserv GmbH & Co