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Balanarayan P
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Chemical reactivity theory: a density functional view
PK Chattaraj
CRC press, 2009
4652009
Molecular tailoring approach for geometry optimization of large molecules: Energy evaluation and parallelization strategies
V Ganesh, RK Dongare, P Balanarayan, SR Gadre
The Journal of chemical physics 125 (10), 2006
2782006
Topography of molecular scalar fields. I. Algorithm and Poincaré–Hopf relation
P Balanarayan, SR Gadre
The Journal of chemical physics 119 (10), 5037-5043, 2003
1242003
An appraisal of Poincaré–Hopf relation and application to topography of molecular electrostatic potentials
D Roy, P Balanarayan, SR Gadre
The Journal of chemical physics 129 (17), 2008
402008
Signatures of molecular recognition from the topography of electrostatic potential
DK Roy, P Balanarayan, SR Gadre
Journal of Chemical Sciences 121, 815-821, 2009
382009
Electrostatic potential topography for exploring electronic reorganizations in 1, 3 dipolar cycloadditions
P Balanarayan, R Kavathekar, SR Gadre
The Journal of Physical Chemistry A 111 (14), 2733-2738, 2007
302007
Why are carborane acids so acidic? An electrostatic interpretation of Brĝnsted acid strengths
P Balanarayan, SR Gadre
Inorganic chemistry 44 (26), 9613-9615, 2005
232005
Strong chemical bond of stable He 2 in strong linearly polarized laser fields
P Balanarayan, N Moiseyev
Physical Review A 85 (3), 032516, 2012
222012
Atoms-in-molecules in momentum space: a Hirshfeld partitioning of electron momentum densities
P Balanarayan, SR Gadre
The Journal of chemical physics 124 (20), 2006
202006
PAREMD: A parallel program for the evaluation of momentum space properties of atoms and molecules
DR Meena, SR Gadre, P Balanarayan
Computer physics communications 224, 299-310, 2018
162018
Ab-initio complex molecular potential energy surfaces by the back-rotation transformation method
P Balanarayan, Y Sajeev, N Moiseyev
Chemical Physics Letters 524, 84-89, 2012
142012
Can ring strain be realized in momentum space?
P Balanarayan, SR Gadre
Journal of the American Chemical Society 128 (33), 10702-10706, 2006
142006
Electrophilic additions to a 2-methylenebicyclo [2.1. 1] hexane system: Probing π-face selectivity for electrostatic and orbital effects
G Mehta, SR Singh, P Balanarayan, SR Gadre
Organic Letters 4 (14), 2297-2300, 2002
122002
A computational investigation of the solvent-dependent enantioselective intramolecular Morita–Baylis–Hillman reaction of enones
NK Singh, B Satpathi, P Balanarayan, SSV Ramasastry
Organic & Biomolecular Chemistry 15 (48), 10212-10220, 2017
102017
Linear Stark effect for a sulfur atom in strong high-frequency laser fields
P Balanarayan, N Moiseyev
Phys. Rev. Lett 110, 253001, 2013
82013
A balancing act of two electrons on a symmetric double-well barrier in a high frequency oscillating field
P Raj, B Pananghat
Physical Chemistry Chemical Physics 21 (6), 3184-3194, 2019
72019
Chemistry in high-frequency strong laser fields: The story of HeS molecule
P Balanarayan, N Moiseyev
Molecular Physics 111 (12-13), 1814-1822, 2013
72013
Hovering States of Ammonia in a High-Intensity, High-Frequency Oscillating Field: Trapped into Planarity by Laser-Induced Hybridization
N Kumar, P Raj, P Balanarayan
The Journal of Physical Chemistry Letters 10 (21), 6813-6819, 2019
62019
Sulfur-mediated chalcogen versus hydrogen bonds in proteins: a see-saw effect in the conformational space
VA Adhav, SS Shelke, P Balanarayan, K Saikrishnan
QRB discovery 4, e5, 2023
22023
Quantum Dynamics with Explicitly Time-Dependent Hamiltonians in Multiple Time Scales: A New Algorithm for (t, t′) and (t, t′, t″) Methods in Laser–Matter …
P Raj, A Gugalia, P Balanarayan
Journal of Chemical Theory and Computation 16 (1), 35-50, 2019
22019
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