Anmol Kumar Ph.D.
Anmol Kumar Ph.D.
Postdoctoral Fellow at University of Maryland
Verified email at
Cited by
Cited by
Molecular electrostatics for probing lone pair–π interactions
N Mohan, CH Suresh, A Kumar, SR Gadre
Physical Chemistry Chemical Physics 15 (42), 18401-18409, 2013
Lone pairs: an electrostatic viewpoint
A Kumar, SR Gadre, N Mohan, CH Suresh
The Journal of Physical Chemistry A 118 (2), 526-532, 2014
DAMQT 2.1. 0: A new version of the DAMQT package enabled with the topographical analysis of electron density and electrostatic potential in molecules
A Kumar, SD Yeole, SR Gadre, R López, JF Rico, G Ramírez, I Ema, ...
Journal of computational chemistry 36 (31), 2350-2359, 2015
Stabilization of Si (0) and Ge (0) compounds by different silylenes and germylenes: a density functional and molecular electrostatic study
S Sarmah, AK Guha, AK Phukan, A Kumar, SR Gadre
Dalton Transactions 42 (36), 13200-13209, 2013
Exploring the gradient paths and zero flux surfaces of molecular electrostatic potential
A Kumar, SR Gadre
Journal of chemical theory and computation 12 (4), 1705-1713, 2016
Topology of molecular electron density and electrostatic potential with DAMQT
R López, JF Rico, G Ramírez, I Ema, D Zorrilla, A Kumar, SD Yeole, ...
Computer Physics Communications 214, 207-215, 2017
On the electrostatic nature of electrides
A Kumar, SR Gadre
Physical Chemistry Chemical Physics 17 (22), 15030-15035, 2015
Bonding and Reactivity Patterns from Electrostatic Landscapes of Molecules
SR Gadre, A Kumar
Journal of Chemical Sciences 128 (10), 1519-1526, 2016
Understanding lone pair-π interactions from electrostatic viewpoint
SR Gadre, A Kumar
Noncovalent Forces, 391-418, 2015
Hybrid QTAIM and electrostatic potential-based quantum topology phase diagrams for water clusters
A Kumar, SR Gadre, X Chenxia, X Tianlv, SR Kirk, S Jenkins
Physical Chemistry Chemical Physics 17 (23), 15258-15273, 2015
Molecular Electrostatic Potential-Based Atoms in Molecules: Shielding Effects and Reactivity Patterns
A Kumar, SR Gadre
Australian Journal of Chemistry 69 (9), 975-982, 2016
FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules
A Kumar, O Yoluk, AD MacKerell Jr
Journal of Computational Chemistry 41 (9), 958-970, 2020
Predicting Partition Coefficients of Neutral and Charged Solutes in the Mixed SLES–Fatty Acid Micellar System
M Turchi, AA Kognole, A Kumar, Q Cai, G Lian, AD MacKerell Jr
The Journal of Physical Chemistry B 124 (9), 1653-1664, 2020
Use of Cyano Probes in QM/MM Simulations to Study the Effect of Ion Concentration and Temperature of the Environment on a Uracil Nucleotide and DNA
A Kumar, AD MacKerell
Biophysical Journal 116 (3), 357a, 2019
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