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Physical Chemistry Chemical Physics : PCCP|December 18, 2013
Halogen bonds in crystal TTF derivatives: an ab initio quantum mechanical studyP Deepa, B Vijaya Pandiyan, P Kolandaivel, et al.Physical Chemistry Chemical Physics : PCCP|August 15, 2014
On the nature of non-covalent interactions in isomers of 2,5-dichloro-1,4-benzoquinone dimers - ground- and excited-state propertiesB Vijaya Pandiyan, P Deepa, P KolandaivelJournal of Molecular Modeling|December 31, 2016
How do halogen bonds (S-O⋯I, N-O⋯I and C-O⋯I) and halogen-halogen contacts (C-I⋯I-C, C-F⋯F-C) subsist in crystal structures? A quantum chemical insightB Vijaya Pandiyan, P Deepa, P KolandaivelPhysical Chemistry Chemical Physics : PCCP|October 2, 2015
Do resonance-assisted intramolecular halogen bonds exist without a charge transfer and a σ-hole?B Vijaya Pandiyan, P Deepa, P KolandaivelJournal of Biomolecular Structure & Dynamics|April 11, 2008
Studies on tautomeric forms of Guanine-Cytosine base pairs of nucleic acids and their interactions with water moleculesP Deepa, P KolandaivelBiophysical Chemistry|May 27, 2008
Interactions of anticancer drugs with usual and mismatch base pairs - density functional theory studiesP Deepa, P Kolandaivel, K SenthilkumarJournal of Biomolecular Structure & Dynamics|October 11, 2018
An overview about the impact of hinge region towards the anticancer binding affinity of the Ck2 ligands: a quantum chemical analysisP Deepa, D Thirumeignanam, P KolandaivelAccounts of Chemical Research|January 10, 2012
Calculations on noncovalent interactions and databases of benchmark interaction energiesPavel HobzaJournal of Chemical Theory and Computation|December 2, 2015
Benzene Dimer: Dynamic Structure and Thermodynamics Derived from On-the-Fly ab initio DFT-D Molecular Dynamic SimulationsJan Řezáč, Pavel HobzaChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 4, 2006
Theoretical investigations into the blue-shifting hydrogen bond in benzene complexesVladimír Spirko, Pavel HobzaPageof 33