| 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 | 59 | 2017 |
| 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 |
| Conical intersections and diabatic potential energy surfaces for the three lowest electronic singlet states of H3+ S Mukherjee, D Mukhopadhyay, S Adhikari The Journal of Chemical Physics 141 (20), 2014 | 55 | 2014 |
| Newton-X platform: New software developments for surface hopping and nuclear ensembles M Barbatti, M Bondanza, R Crespo-Otero, B Demoulin, PO Dral, ... Journal of Chemical Theory and Computation 18 (11), 6851-6865, 2022 | 53 | 2022 |
| ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “N” Dimensional Sub-Hilbert Space K Naskar, S Mukherjee, B Mukherjee, S Ravi, S Mukherjee, S Sardar, ... Journal of Chemical Theory and Computation 16 (3), 1666-1680, 2020 | 33 | 2020 |
| Ab initio constructed diabatic surfaces of NO2 and the photodetachment spectra of its anion S Mukherjee, B Mukherjee, S Sardar, S Adhikari The Journal of Chemical Physics 143 (24), 2015 | 29 | 2015 |
| A beyond Born-Oppenheimer treatment of five state molecular system NO3 and the photodetachment spectra of its anion B Mukherjee, S Mukherjee, S Sardar, KR Shamasundar, S Adhikari Chemical Physics 515, 350-359, 2018 | 27 | 2018 |
| Simulations of molecular photodynamics in long timescales S Mukherjee, M Pinheiro Jr, B Demoulin, M Barbatti Philosophical Transactions of the Royal Society A 380 (2223), 20200382, 2022 | 26 | 2022 |
| Modeling spin-crossover dynamics S Mukherjee, DA Fedorov, SA Varganov Annual Review of Physical Chemistry 72 (1), 515-540, 2021 | 24 | 2021 |
| The excited states of K3 cluster: The molecular symmetry adapted non-adiabatic coupling terms and diabatic Hamiltonian matrix S Mukherjee, S Adhikari Chemical Physics 440, 106-118, 2014 | 23 | 2014 |
| An ab initio investigation of non-adiabatic couplings and conical intersections among the lowest five electronic states of the NO3 radical B Mukherjee, S Mukherjee, S Sardar, KR Shamasundar, S Adhikari Molecular Physics 115 (21-22), 2833-2848, 2017 | 22 | 2017 |
| 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 |
| Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states G Braun, I Borges, AJA Aquino, H Lischka, F Plasser, SA Do Monte, ... The Journal of Chemical Physics 157 (15), 2022 | 20 | 2022 |
| A hessian-free method to prevent zero-point energy leakage in classical trajectories S Mukherjee, M Barbatti Journal of Chemical Theory and Computation 18 (7), 4109-4116, 2022 | 17 | 2022 |
| Dressed Adiabatic and Diabatic Potentials To Study Topological Effects for F + H2 A Csehi, A Bende, GJ Halász, Á Vibók, A Das, D Mukhopadhyay, ... The Journal of Physical Chemistry A 118 (33), 6361-6366, 2014 | 13 | 2014 |
| Surface temperature effect on the scattering of D2 (v= 0, j= 0)-Cu (111) system T Sahoo, S Mukherjee, S Adhikari The Journal of Chemical Physics 136 (8), 2012 | 13 | 2012 |
| Ab-initio non-adiabatic couplings among three lowest singlet states of H3+: Construction of multisheeted diabatic potential energy surfaces B Mukherjee, S Mukherjee, S Adhikari Journal of Physics: Conference Series 759 (1), 012050, 2016 | 12 | 2016 |
| Pre-Dewar structure modulates protonated azaindole photodynamics R Mansour, S Mukherjee, M Pinheiro, JA Noble, C Jouvet, M Barbatti Physical Chemistry Chemical Physics 24 (20), 12346-12353, 2022 | 9 | 2022 |
| Dressed Adiabatic and Diabatic Potentials for the Renner–Teller/Jahn–Teller F + H2 System A Csehi, A Bende, GJ Halász, A Vibók, A Das, D Mukhopadhyay, ... The Journal of Physical Chemistry A 117 (36), 8497-8505, 2013 | 9 | 2013 |
| Intersystem crossing and internal conversion dynamics with GAIMS-TeraChem: Excited state relaxation in 2-cyclopentenone S Mukherjee, SA Varganov The Journal of Chemical Physics 155 (17), 2021 | 8 | 2021 |
Bijit MukherjeePostdoctoral Research Associate at University of WarsawVerified email at fuw.edu.pl
