| 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 | 58 | 2013 |
| Single surface beyond Born–Oppenheimer equation for a three-state model Hamiltonian of Na3 cluster A Kumar Paul, S Sardar, B Sarkar, S Adhikari The Journal of chemical physics 131 (12), 2009 | 45 | 2009 |
| A Zero Point Energy Constraint for Unimolecular Dissociation Reactions. Giving Trajectories Multiple Chances to Dissociate Correctly AKPWL Hase Journal of Physical Chemistry A, 2016 | 38 | 2016 |
| Ab initio calculations on the excited states of Na3 cluster to explore beyond Born-Oppenheimer theories: adiabatic to diabatic potential energy surfaces and nuclear dynamics AK Paul, S Ray, D Mukhopadhyay, S Adhikari The Journal of chemical physics 135 (3), 2011 | 38 | 2011 |
| 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), 2014 | 37 | 2014 |
| 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 | 33 | 2015 |
| 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 | 31 | 2009 |
| 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 | 29 | 2008 |
| Chemical Dynamics Simulations of Benzene Dimer Dissociation X Ma, AK Paul, WL Hase Journal of Physical Chemistry A 119 (25), 6631–6640, 2015 | 28 | 2015 |
| 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 | 25 | 2015 |
| A Photochemical Intramolecular C–N Coupling Toward the Synthesis of Benzimidazole-Fused Phenanthridines SK Bera, PJ Boruah, SS Parida, AK Paul, P Mal The Journal of Organic Chemistry 86 (14), 9587-9602, 2021 | 23 | 2021 |
| 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 | 22 | 2018 |
| Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N2 Collisions H Kim, AK Paul, S Pratihar, WL Hase Journal of Physical Chemistry A, 2016 | 21 | 2016 |
| Conical intersections between X2A1 and A2B2 electronic states of NO2 S Sardar, S Mukherjee, AK Paul, S Adhikari Chemical Physics 416, 11-20, 2013 | 21 | 2013 |
| 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 | 19 | 2011 |
| 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 | 19 | 2009 |
| 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 | 18 | 2015 |
| 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), 2018 | 17 | 2018 |
| 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 | 16 | 2011 |
| A Better Understanding of the Unimolecular Dissociation Dynamics of Weakly Bound Aromatic Compounds at High Temperature: A Study on C6H6–C6F6 and Comparison with C6H6 Dimer H Mahanta, D Baishya, SS Ahamed, AK Paul The Journal of Physical Chemistry A 123 (13), 2517-2526, 2019 | 15 | 2019 |
