| Time-dependent quantum wave-packet description of the photochemistry of phenol Z Lan, W Domcke, V Vallet, AL Sobolewski, S Mahapatra The Journal of chemical physics 122 (22), 224315, 2005 | 194 | 2005 |
| Construction scheme for regularized diabatic states H Köppel, J Gronki, S Mahapatra The Journal of Chemical Physics 115 (6), 2377-2388, 2001 | 174 | 2001 |
| Photochemistry of pyrrole: Time-dependent quantum wave-packet description of the dynamics at the conical intersections V Vallet, Z Lan, S Mahapatra, AL Sobolewski, W Domcke The Journal of chemical physics 123 (14), 144307, 2005 | 136 | 2005 |
| The Ã2E/B̃2B2 Photoelectron Bands of Allene beyond the Linear Coupling Scheme: An ab Initio Dynamical Study Including All Fifteen Vibrational Modes S Mahapatra, GA Worth, HD Meyer, LS Cederbaum, H Köppel The Journal of Physical Chemistry A 105 (23), 5567-5576, 2001 | 118 | 2001 |
| Negative imaginary potentials in time-dependent quantum molecular scattering S Mahapatra, N Sathyamurthy Journal of the Chemical Society, Faraday Transactions 93 (5), 773-779, 1997 | 111 | 1997 |
| Nonadiabatic wave packet dynamics on the coupled X2A1/A2B2 electronic states of NO2 based on new ab initio potential energy surfaces S Mahapatra, H Köppel, LS Cederbaum, P Stampfuss, W Wenzel Chemical Physics 259 (2-3), 211-226, 2000 | 107 | 2000 |
| Nonadiabatic wave packet dynamics on the coupled X2A1/A2B2 electronic states of NO2 based on new ab initio potential energy surfaces S Mahapatra, H Köppel, LS Cederbaum, P Stampfuss, W Wenzel Chemical Physics 259 (2-3), 211-226, 2000 | 107 | 2000 |
| Time-dependent quantum wave-packet description of the 1 πσ* photochemistry of pyrrole V Vallet, Z Lan, S Mahapatra, AL Sobolewski, W Domcke Faraday discussions 127, 283-293, 2004 | 89 | 2004 |
| Reactive Scattering Dynamics on Conically Intersecting Potential Energy Surfaces: The H + H2 Exchange Reaction S Mahapatra, H Köppel, LS Cederbaum The Journal of Physical Chemistry A 105 (11), 2321-2329, 2001 | 86 | 2001 |
| XUV excitation followed by ultrafast non-adiabatic relaxation in PAH molecules as a femto-astrochemistry experiment A Marciniak, V Despré, T Barillot, A Rouzée, MCE Galbraith, J Klei, ... Nature communications 6 (1), 1-6, 2015 | 84 | 2015 |
| Excited electronic states and nonadiabatic effects in contemporary chemical dynamics S Mahapatra Accounts of chemical research 42 (8), 1004-1015, 2009 | 84 | 2009 |
| Spectra and time-dependent dynamics of near the conical intersection in the ground electronic manifold S Mahapatra, H Köppel The Journal of chemical physics 109 (5), 1721-1733, 1998 | 79 | 1998 |
| Towards a higher-order description of Jahn–Teller coupling effects in molecular spectroscopy: The A∼ 2E ″state of NO3 S Faraji, H Köppel, W Eisfeld, S Mahapatra Chemical Physics 347 (1-3), 110-119, 2008 | 61 | 2008 |
| Towards a higher-order description of Jahn–Teller coupling effects in molecular spectroscopy: The A∼ 2E ″state of NO3 S Faraji, H Köppel, W Eisfeld, S Mahapatra Chemical Physics 347 (1-3), 110-119, 2008 | 61 | 2008 |
| Theoretical investigation of Jahn–Teller and pseudo-Jahn–Teller coupling effects on the photoelectron spectrum of allene S Mahapatra, LS Cederbaum, H Köppel The Journal of Chemical Physics 111 (23), 10452-10463, 1999 | 59 | 1999 |
| Photoinduced multi-mode quantum dynamics of pyrrole at the π1σ∗–S0 conical intersections Z Lan, A Dupays, V Vallet, S Mahapatra, W Domcke Journal of Photochemistry and Photobiology A: Chemistry 190 (2-3), 177-189, 2007 | 56 | 2007 |
| Quantum Mechanical Study of Optical Emission Spectra of Rydberg-Excited and Its Isotopomers S Mahapatra, H Köppel Physical review letters 81 (15), 3116, 1998 | 53 | 1998 |
| First principles quantum dynamical investigation provides evidence for the role of polycyclic aromatic hydrocarbon radical cations in interstellar physics VS Reddy, S Ghanta, S Mahapatra Physical review letters 104 (11), 111102, 2010 | 51 | 2010 |
| Quantum non-adiabatic dynamics through conical intersections: Spectroscopy to reactive scattering S Mahapatra* International Reviews in Physical Chemistry 23 (4), 483-512, 2004 | 51 | 2004 |
| Correlation function approach to transition state resonances in collinear (He,H2+) collisions S Mahapatra, N Sathyamurthy The Journal of chemical physics 102 (15), 6057-6066, 1995 | 51 | 1995 |
