화학공학소재연구정보센터
검색결과 : 46건
No. Article
1 Molecular Electrostatic Potential Reorganization Theory to Describe Positive Cooperativity in Noncovalent Trimer Complexes
Bijina PV, Suresh CH
Journal of Physical Chemistry A, 124(11), 2231, 2020
2 Electrostatic Topographical Viewpoint of pi-Conjugation and Aromaticity of Hydrocarbons
Anjalikrishna PK, Suresh CH, Gadre SR
Journal of Physical Chemistry A, 123(46), 10139, 2019
3 Ammonia Borane Clusters: Energetics of Dihydrogen Bonding, Cooperativity, and the Role of Electrostatics
Vijayalakshmi KP, Suresh CH
Journal of Physical Chemistry A, 121(13), 2704, 2017
4 Quantification of Thermodynamic Hydridicity of Hydride Complexes of Mn, Re, Mo, and W Using the Molecular Electrostatic Potential
Sandhya KS, Suresh CH
Journal of Physical Chemistry A, 121(14), 2814, 2017
5 Correlation and Prediction of Redox Potentials of Hydrogen Evolution Mononuclear Cobalt Catalysts via Molecular Electrostatic Potential: A DFT Study
Anjali BA, Sayyed FB, Suresh CH
Journal of Physical Chemistry A, 120(7), 1112, 2016
6 Metal- and Ligand-Assisted CO2 Insertion into Ru-C, Ru-N, and Ru-O Bonds of Ruthenium(II) Phosphine Complexes: A Density Functional Theory Study
Vadivelu P, Suresh CH
Inorganic Chemistry, 54(2), 502, 2015
7 Pincer Ligand Modifications To Tune the Activation Barrier for H-2 Elimination in Water Splitting Milstein Catalyst
Sandhya KS, Remya GS, Suresh CH
Inorganic Chemistry, 54(23), 11150, 2015
8 Aromatization Energy and Strain Energy of Buckminsterfullerene from Homodesmotic Reactions
Suresh CH, Lincy TL, Mohan N, Rakhi R
Journal of Physical Chemistry A, 119(25), 6683, 2015
9 Lone Pairs: An Electrostatic Viewpoint
Kumar A, Gadre SR, Mohan N, Suresh CH
Journal of Physical Chemistry A, 118(2), 526, 2014
10 A Molecular Electrostatic Potential Analysis of Hydrogen, Halogen, and Dihydrogen Bonds
Mohan N, Suresh CH
Journal of Physical Chemistry A, 118(9), 1697, 2014