화학공학소재연구정보센터
검색결과 : 13건
No. Article
1 Structure and Reactivity of Pd Complexes in Various Oxidation States in Identical Ligand Environments with Reference to C-C and C-Cl Coupling Reactions: Insights from Density Functional Theory
Jagadeesan R, Sabapathi G, Madhavan J, Venuvanalingam P
Inorganic Chemistry, 57(12), 6833, 2018
2 On the Nature of Hypercoordination in Dihalogenated Perhalocyclohexasilanes
Vedha SA, Solomon RV, Venuvanalingam P
Journal of Physical Chemistry A, 117(16), 3529, 2013
3 Tuning Nonlinear Optical and Optoelectronic Properties of Vinyl Coupled Triazene Chromophores: A Density Functional Theory and Time-Dependent Density Functional Theory Investigation
Solomon RV, Veerapandian P, Vedha SA, Venuvanalingam P
Journal of Physical Chemistry A, 116(18), 4667, 2012
4 Interaction of anthraquinone dyes with lysozyme: Evidences from spectroscopic and docking studies
Paramaguru G, Kathiravan A, Selvaraj S, Venuvanalingam P, Renganathan R
Journal of Hazardous Materials, 175(1-3), 985, 2010
5 Transition states and charge analyses along the IRC for the singlet chlorocarbenes insertions into C-H bond of alkanes
Ramalingam M, Ramasami K, Venuvanalingam P
Chemical Physics Letters, 430(4-6), 414, 2006
6 Hydrogen bond stabilization in Diels-Alder transition states: The cycloaddition of hydroxy-ortho-quinodimethane with fumaric acid and dimethylfumarate
Tamilmani V, Daul CA, Robles JL, Bochet CG, Venuvanalingam P
Chemical Physics Letters, 406(4-6), 355, 2005
7 Electrostatic control on endo/exo selectivity in ionic cycloaddition
Tamilmani V, Daul CA, Venuvanalingam P
Chemical Physics Letters, 416(4-6), 354, 2005
8 Ring cleavage of aziridines by difluoroamine: Mechanistic insights from ab initio and DFT study
Kalaiselvan A, Ammal SC, Venuvanalingam P, Yamataka H
Journal of Physical Chemistry A, 109(21), 4829, 2005
9 Origin and nature of lithium and hydrogen bonds to oxygen, sulfur, and selenium
Ammal SSC, Venuvanalingam P
Journal of Physical Chemistry A, 104(46), 10859, 2000
10 pi-systems as lithium hydrogen bond acceptors : Some theoretical observations
Ammal SSC, Venuvanalingam P
Journal of Chemical Physics, 109(22), 9820, 1998