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Dr. Amit Kumar Paul
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Construction of diabatic Hamiltonian matrix from ab initio calculated molecular symmetry adapted nonadiabatic coupling terms and nuclear dynamics for the excited states of Na3 …
S Mukherjee, S Bandyopadhyay, AK Paul, S Adhikari
The Journal of Physical Chemistry A 117 (16), 3475-3495, 2013
472013
Single surface beyond Born–Oppenheimer equation for a three-state model Hamiltonian of cluster
A Kumar Paul, S Sardar, B Sarkar, S Adhikari
The Journal of chemical physics 131 (12), 124312, 2009
382009
Ab initio calculations on the excited states of Na3 cluster to explore beyond Born-Oppenheimer theories: Adiabatic to diabatic potential energy surfaces and …
AK Paul, S Ray, D Mukhopadhyay, S Adhikari
The Journal of chemical physics 135 (3), 034107, 2011
372011
A Zero Point Energy Constraint for Unimolecular Dissociation Reactions. Giving Trajectories Multiple Chances to Dissociate Correctly
AKPWL Hase
Journal of Physical Chemistry A, 2016
342016
A unified model for simulating liquid and gas phase, intermolecular energy transfer: N2 + C6F6 collisions
AK Paul, SC Kohale, S Pratihar, R Sun, SW North, WL Hase
The Journal of Chemical Physics 140 (19), 194103, 2014
312014
Energy and temperature dependent dissociation of the Na+(benzene)1,2 clusters: Importance of anharmonicity
Sujitha Kolakkandy, Amit K. Paul, Subha Pratihar, Swapnil C. Kohale, George ...
Journal of Chemical Physics 142 (4), 044306, 2015
292015
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), 144302, 2009
282009
A quantum-classical approach to the molecular dynamics of butatriene cation with a realistic model Hamiltonian
S Sardar, AK Paul, P Mondal, B Sarkar, S Adhikari
Physical Chemistry Chemical Physics 10 (42), 6388-6398, 2008
262008
Bath Model for N2 + C6F6 Gas-Phase Collisions. Details of the Intermolecular Energy Transfer Dynamics
AK Paul, SC Kohale, WL Hase
The Journal of Physical Chemistry C 119 (26), 14683-14691, 2015
222015
Chemical Dynamics Simulations of Benzene Dimer Dissociation
X Ma, AK Paul, WL Hase
Journal of Physical Chemistry A 119 (25), 6631–6640, 2015
212015
Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N2 Collisions
H Kim, AK Paul, S Pratihar, WL Hase
Journal of Physical Chemistry A, 2016
182016
Conical intersections between X2A1 and A2B2 electronic states of NO2
S Sardar, S Mukherjee, AK Paul, S Adhikari
Chemical Physics 416, 11-20, 2013
182013
Dynamics of Na+(Benzene) + Benzene Association and Ensuing Na+(Benzene)2* Dissociation
AK Paul, S Kolakkandy, WL Hase
Journal of Physical Chemistry A 119 (28), 7894–7904, 2015
172015
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
172011
A parallelised quantum-classical approach to the molecular dynamics of allene () radical cation
S Sardar, AK Paul, S Adhikari
Molecular Physics 107 (23-24), 2467-2479, 2009
172009
Plastically bendable crystals of probenecid and its cocrystal with 4, 4′-Bipyridine
NK Nath, M Hazarika, P Gupta, NR Ray, AK Paul, E Nauha
Journal of Molecular Structure 1160, 20-25, 2018
162018
Conical intersections in 22E′ states of Na3 cluster
AK Paul, S Ray, D Mukhopadhyay, S Adhikari
Chemical Physics Letters 508 (4-6), 300-305, 2011
142011
Non-statistical intermolecular energy transfer from vibrationally excited benzene in a mixed nitrogen-benzene bath
AK Paul, NA West, JD Winner, RDW Bowersox, SW North, WL Hase
The Journal of Chemical Physics 149 (13), 134101, 2018
132018
Collisional Intermolecular Energy Transfer from a N2 Bath at Room Temperature to a Vibrationlly “Cold” C6F6 Molecule Using Chemical Dynamics Simulations
AK Paul, D Donzis, WL Hase
The Journal of Physical Chemistry A 121 (21), 4049-4057, 2017
132017
H 2+ photodissociation by an intense pulsed photonic Fock state
AK Paul, S Adhikari, M Baer, R Baer
Physical Review A 81 (1), 013412, 2010
132010
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Articles 1–20