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bishwajit documents
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This Major Process Raja
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DFT studies on a new class of cage functionalized organic superbases
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In silico studies toward the recognition of fluoride ion by substituted borazines
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Probing the influence of pH dependent citric acid towards the morphology of rock salt: a computational study
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First Principles Studies toward the Design of Silylene Superbases: A Density Functional Theory Study
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Azaindole-1,2,3-triazole conjugate as selective fluorometric sensor for dihydrogenphosphate
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Probing the Influence of Anomeric Effects on the Lithium Ion Affinity in 1,3-Diaza Systems: A Computational Study
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Probing the influence of solvent effect on the lithium ion binding affinity of 12-crown-O3N derivatives with unsaturated side arms: A computational study
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In Silico Studies in Exploiting Weak Noncovalent C–H + ···π and π–π Interactions To Achieve Dual Properties: Hyperbasicity and Multiple Dihydrogen Storage Materials with
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Probing the role of solvation in predicting the π-facial selectivity of 5-Fluoro-2-methyleneadamantane with per-acid: A case study
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Exploiting Weak Noncovalent Cation···π Interaction for Designing a Molecular Container for Storage of Methane Molecules with Lithiated Carbene Superbases
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Probing the Influence of Solvent Effects on the Conformational Behavior of 1,3-Diazacyclohexane Systems
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Can hydroxylamine be a more potent nucleophile for the reactivation of tabun-inhibited AChE than prototype oxime drugs? An answer derived from quantum chemical and steered molecular
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Rational Design and First-Principles Studies toward the Remote Substituent Effects on a Novel Tetracyclic Proton Sponge
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In Silico Studies to Explore the Mutagenic Ability of 5-Halo/Oxy/Li-Oxy-Uracil Bases with Guanine of DNA Base Pairs
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Selective Interception of Gelsolin Amyloidogenic Stretch Results in Conformationally Distinct Aggregates with Reduced Toxicity
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Photochemical Chlorocarbonylation of HCTD by Oxalyl Chloride. Carbocation-Mediated Rearrangement of HCTD Derivatives to Novel, Substituted Heptacyclopentadecanes
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Quantum chemical and steered molecular dynamics studies for one pot solution to reactivate aged acetylcholinesterase with alkylator oxime
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Design of Efficient Metal-Free Organic Dyes Having an Azacyclazine Scaffold as the Donor Fragment for Dye-Sensitized Solar Cells
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Computational Study of Urea and Its Homologue Glycinamide: Conformations, Rotational Barriers, and Relative Interactions with Sodium Chloride
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Exploiting propane-1,3-diimines as building blocks for superbases: a DFT study
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