ruben-d-parra documents

Stable Three-Center Hydrogen Bonding in a Partially Rigidified Structure
Documents Stable Three-Center Hydrogen Bonding in a Partially Rigidified Structure
Planar vs non-planar structure of gaseous catechol in the S0 state: an ab initio study
Documents Planar vs non-planar structure of gaseous catechol in the S0 state: an ab initio study
Conformational preferences of carbonic acid and its sulfur derivatives, H2C(X)O2−nSn(X = O/S; n = 0–2)
Documents Conformational preferences of carbonic acid and its sulfur derivatives, H2C(X)O2−nSn(X = O/S; n = 0–2)
Preferred conformations of the gas phase complex between Li+ and a model macrocycle tetraamide
Documents Preferred conformations of the gas phase complex between Li+ and a model macrocycle tetraamide
Conformational analysis of n-fluorine, 2,2′-X (n = 3 or 3′; X = bifuran, bithiophene, or thienylfuran): Ab initio, density functional, and multi-coefficient correlation results
Documents Conformational analysis of n-fluorine, 2,2′-X (n = 3 or 3′; X = bifuran, bithiophene, or thienylfuran): Ab initio, density functional, and multi-coefficient correlation results
Staggered and eclipsed conformations of C2F6: A systematic ab initio study
Documents Staggered and eclipsed conformations of C2F6: A systematic ab initio study
Basis set effects on the intermolecular interaction of the CF4–CF4 system
Documents Basis set effects on the intermolecular interaction of the CF4–CF4 system