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Rahul Sharma
Rahul Sharma
St. Xavier's College, Kolkata
Bestätigte E-Mail-Adresse bei sxccal.edu
Titel
Zitiert von
Zitiert von
Jahr
Beyond Born-Oppenheimer theory for ab initio constructed diabatic potential energy surfaces of singlet H3+ to study reaction dynamics using coupled 3D time-dependent wave …
S Ghosh, S Mukherjee, B Mukherjee, S Mandal, R Sharma, P Chaudhury, ...
The Journal of Chemical Physics 147 (7), 2017
612017
Instability and pattern formation in reaction-diffusion systems: a higher order analysis
SS Riaz, R Sharma, SP Bhattacharyya, DS Ray
The Journal of chemical physics 127 (6), 2007
332007
Low-temperature D++ H2 reaction: A time-dependent coupled wave-packet study in hyperspherical coordinates
T Sahoo, S Ghosh, S Adhikari, R Sharma, AJC Varandas
The Journal of Chemical Physics 142 (2), 2015
322015
Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: Application to the Adiabatic Singlet-State(11A′) D+ + H2 Reaction
T Sahoo, S Ghosh, S Adhikari, R Sharma, AJC Varandas
The Journal of Physical Chemistry A 118 (26), 4837-4850, 2014
322014
The multistate multimode vibronic dynamics of benzene radical cation with a realistic model Hamiltonian using a parallelized algorithm of the quantumclassical approach
S Sardar, AK Paul, R Sharma, S Adhikari
The Journal of chemical physics 130 (14), 2009
312009
Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: The D++H2 Reaction on the Triple-Sheeted DMBE Potential Energy Surface
S Ghosh, T Sahoo, S Adhikari, R Sharma, AJC Varandas
The Journal of Physical Chemistry A 119 (50), 12392-12403, 2015
292015
A search for lowest energy structures of ZnS quantum dots: Genetic algorithm tight-binding study
S Pal, R Sharma, B Goswami, P Sarkar, SP Bhattacharyya
The Journal of chemical physics 130 (21), 2009
272009
3D time-dependent wave-packet approach in hyperspherical coordinates for the H+ O 2 reaction on the CHIPR and DMBE IV potential energy surfaces
S Ghosh, R Sharma, S Adhikari, AJC Varandas
Physical Chemistry Chemical Physics 20 (1), 478-488, 2018
212018
Fully coupled (J> 0) time-dependent wave-packet calculations using hyperspherical coordinates for the H+ O 2 reaction on the CHIPR potential energy surface
S Ghosh, R Sharma, S Adhikari, AJC Varandas
Physical Chemistry Chemical Physics 21 (36), 20166-20176, 2019
202019
Theoretical prediction of ring structures for ZnS quantum dots
S Pal, R Sharma, B Goswami, P Sarkar
Chemical Physics Letters 467 (4-6), 365-368, 2009
202009
A “classical” trajectory driven nuclear dynamics by a parallelized quantum‐classical approach to a realistic model Hamiltonian of benzene radical cation
S Sardar, AK Paul, R Sharma, S Adhikari
International Journal of Quantum Chemistry 111 (12), 2741-2759, 2011
192011
Coupled 3D time-dependent quantum wave-packet study of the O+ OH reaction in hyperspherical coordinates on the CHIPR potential energy surface
S Ghosh, R Sharma, S Adhikari, AJC Varandas
Chemical Physics Letters 675, 85-91, 2017
152017
Solving symmetric eigenvalue problem via genetic algorithms: Serial versus parallel implementation
S Nandy, R Sharma, SP Bhattacharyya
Applied Soft Computing 11 (5), 3946-3961, 2011
152011
A generalized recipe to construct elementary or multi-step reaction paths via a stochastic formulation: Application to the conformational change in noble gas clusters
S Talukder, S Sen, R Sharma, SK Banik, P Chaudhury
Chemical Physics 431, 5-14, 2014
142014
Structural and Infra Red Spectroscopic Aspects of Ion-Water Clusters: A Study Based on a Combined Stochastic and Quantum Chemical Approach
SK Biring, R Sharma, R Misra, P Chaudhury
Journal of Cluster Science, 1-23, 2013
142013
A new adaptive mutation simulated annealing algorithm: application to the study of pure and mixed Pt–Pd clusters
SK Biring, R Sharma, P Chaudhury
Journal of Mathematical Chemistry 52, 368-397, 2014
122014
Target excitation in 2-D quantum dots by optimized chirped pulses
M Ghosh, R Sharma, SP Bhattacharyya
Chemical Physics Letters 449 (1-3), 165-170, 2007
112007
Exploring NLO response of 9, 10-donor-acceptor substituted Bichromophoric Anthracene Derivatives
R Misra, R Sharma, SP Bhattacharyya
Journal of Computational Methods in Science and Engineering 10 (3-6), 149-164, 2010
102010
Blending determinism with evolutionary computing: Applications to the calculation of the molecular electronic structure of polythiophene
K Sarkar, R Sharma, SP Bhattacharyya
Journal of Chemical Theory and Computation 6 (3), 718-726, 2010
102010
A constrained variational approach to the designing of low transport band gap materials: A multiobjective random mutation hill climbing method
K Sarkar, R Sharma, SP Bhattacharyya
International Journal of Quantum Chemistry 112 (6), 1547-1558, 2012
92012
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