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Sarkar, Rudraditya (2016) Non-adiabatic effects in the òB₂ and B˜²A₂ states of CH₂F₂⁺ through coupling vibrational modes Journal of Physics: Conference Series, 759 . Article ID 012058. ISSN 1742-6588

Nandipati, Krishna Reddy ; Kanakati, Arun Kumar (2016) Optimal control of vibrational transitions of HCl Pramana - Journal of Physics, 87 (4). Article ID 50. ISSN 0304-4289

Ghosh, Arpita ; Reddy, Samala Nagaprasad ; Reddy, S. Rajagopala ; Mahapatra, S. (2016) Vibronic coupling in the X˜²Π_g–òΠ_u band system of diacetylene radical cation The Journal of Physical Chemistry A, 120 (40). pp. 7881-7889. ISSN 1089-5639

Sarkar, Rudraditya ; Mahapatra, S. (2016) Vibronic dynamics of electronic ground state of CH₂F₂⁺ and its deuterated isotopomer The Journal of Physical Chemistry A, 120 (20). pp. 3504-3517. ISSN 1089-5639

Roy, Tanmoy ; Mahapatra, S. (2015) H+LiH⁺ collision dynamics at ultracold temperature conditions Chemical Physics, 448 . pp. 34-42. ISSN 0301-0104

Rao, Tammineni Rajagopala ; Guillon, Grégoire ; Mahapatra, Susanta ; Honvault, Pascal (2015) Differential cross sections and product rovibrational distributions for ¹⁶O +³²O₂ and ¹⁸O +³⁶O₂ collisions The Journal of Physical Chemistry A, 119 (46). pp. 11432-11439. ISSN 1089-5639

Rao, Tammineni Rajagopala ; Guillon, Gregoire ; Mahapatra, Susanta ; Honvault, Pascal (2015) Huge quantum symmetry effect in the O + O₂ exchange reaction The Journal of Physical Chemistry Letters, 6 (4). pp. 633-636. ISSN 1948-7185

Rajagopala Rao, T. ; Guillon, G. ; Mahapatra, Susanta ; Honvault, P. (2015) Quantum dynamics of ¹⁶O + ³⁶O₂ and ¹⁸O + ³²O₂ exchange reactions The Journal of Chemical Physics, 142 (17). Article ID 174311. ISSN 0021-9606

Guillon, Grégoire ; Rao, Tammineni Rajagopala ; Mahapatra, Susanta ; Honvault, Pascal (2015) Quantum dynamics of the ¹⁸O + ³⁶O₂ collision process The Journal of Physical Chemistry A, 119 (50). pp. 12512-12516. ISSN 1089-5639

Reddy, Samala Nagaprasad ; Mahapatra, S. (2015) Theoretical study on molecules of interstellar interest. II. Radical cation of compact polycyclic aromatic hydrocarbons The Journal of Physical Chemistry B, 119 (34). pp. 11391-11402. ISSN 1520-6106

Reddy, V. Sivaranjana ; Reddy, Samala Nagaprasad ; Mahapatra, S. (2015) Ultrafast dynamics of electronically excited diborane radical cation Theoretical Chemistry Accounts, 134 (4). No pp. given. ISSN 1432-881X

Sarkar, Rudraditya ; Mahapatra, Susanta (2015) Vibronic coupling in the first four electronic states of CH₂F⁺₂ Molecular Physics, 113 (19-20). pp. 3073-3084. ISSN 0026-8976

Marciniak, A. ; Despré, V. ; Barillot, T. ; Rouzée, A. ; Galbraith, M.C.E. ; Klei, J. ; Yang, C.-H. ; Smeenk, C.T.L. ; Loriot, V. ; Reddy, S. Nagaprasad ; Tielens, A.G.G.M. ; Mahapatra, S. ; Kuleff, A. I. ; Vrakking, M.J.J. ; Lépine, F. (2015) XUV excitation followed by ultrafast non-adiabatic relaxation in PAH molecules as a femto-astrochemistry experiment Nature Communications, 6 . No pp. given. ISSN 2041-1723

Nandipati, K. R. ; Singh, H. ; Nagaprasad Reddy, S. ; Kumar, K. A. ; Mahapatra, S. (2014) Optimal initiation of electronic excited state mediated intramolecular H-transfer in malonaldehyde by UV-laser pulses The European Physical Journal D, 68 (12). No pp. given. ISSN 1434-6060

Reddy, Rajagopala S. ; Mahapatra, S. (2014) Theoretical study of photodetachment processes of anionic boron cluster. III. B^-₇ The Journal of Chemical Physics, 140 (8). Article ID 084311. ISSN 0021-9606

Goswami, Sugata ; Rao, Rajagopala T. ; Mahapatra, S. ; Bussery-Honvault, B. ; Honvault, P. (2014) Time-dependent quantum wave packet dynamics of S + OH reaction on its electronic ground state The Journal of Physical Chemistry A, 118 (31). pp. 5915-5926. ISSN 1089-5639

Rao, Rajagopala T. ; Mahapatra, S. ; Honvault, P. (2014) A comparative account of quantum dynamics of the H⁺ + H₂ reaction at low temperature on two different potential energy surfaces The Journal of Chemical Physics, 141 (6). Article ID 064306. ISSN 0021-9606

Rao, Rajagopala T. ; Mahapatra, S. (2013) Theoretical study of ClH₂⁻ electron detachment spectroscopy revisited Chemical Physics Letters, 574 . pp. 24-31. ISSN 0009-2614

Reddy, Samala Nagaprasad ; Mahapatra, S. (2013) Theoretical study on molecules of interstellar interest. I. Radical cation of noncompact polycyclic aromatic hydrocarbons The Journal of Physical Chemistry A, 117 (36). pp. 8737-8749. ISSN 1089-5639

Rao, Rajagopala T. ; Goswami, Sugata ; Mahapatra, S. ; Bussery-Honvault, B. ; Honvault, P. (2013) Time-dependent quantum wave packet dynamics of the C + OH reaction on the excited electronic state The Journal of Chemical Physics, 138 (9). Article ID 094318. ISSN 0021-9606

Reddy, Samala Nagaprasad ; Mahapatra, S. (2012) Theoretical study of electronic absorption spectroscopy of propadienylidene molecule vis-â-vis the observed diffuse interstellar bands Chemical Physics Letters, 403 . pp. 1-11. ISSN 0009-2614

Mondal, T. ; Reddy, Rajagopala S. ; Mahapatra, S. (2012) Photophysics of fluorinated benzene. III. Hexafluorobenzene The Journal of Chemical Physics, 137 (5). Article ID 054311. ISSN 0021-9606

Roy, Tanmoy ; Mahapatra, S. (2012) Quantum dynamics of H + LiH reaction and its isotopic variants The Journal of Chemical Physics, 136 (17). Article ID 174313. ISSN 0021-9606

Rajagopala Reddy, S. ; Mahapatra, S. (2012) Theoretical study of photodetachment processes of anionic boron clusters. I. Structure The Journal of Chemical Physics, 136 (2). Article ID 024322. ISSN 0021-9606

Reddy, Rajagopala S. ; Mahapatra, S. (2012) Theoretical study of photodetachment processes of anionic boron clusters. II. Dynamics The Journal of Chemical Physics, 136 (2). Article ID 024323. ISSN 0021-9606

Roy, Tanmoy ; Rao, Rajagopala T. ; Mahapatra, S. (2011) Quantum dynamics of H+LiH⁺ reaction on its electronic ground state Chemical Physics Letters, 501 (4-6). pp. 252-256. ISSN 0009-2614

Rao, Rajagopala T. ; Mahapatra, S. (2011) Nuclear motion on the orbitally degenerate electronic ground state of fully deuterated triatomic hydrogen The Journal of Chemical Physics, 134 (20). Article ID 204307. ISSN 0021-9606

Ghanta, S. ; Reddy, Sivaranjana V. ; Mahapatra, S. (2011) Theoretical study of electronically excited radical cations of naphthalene and anthracene as archetypal models for astrophysical observations. Part I. Static aspects Physical Chemistry Chemical Physics, 13 (32). pp. 14523-14530. ISSN 1463-9076

Ghanta, S. ; Reddy, Sivaranjana V. ; Mahapatra, S. (2011) Theoretical study of the electronically excited radical cations of naphthalene and anthracene as archetypal models for astrophysical observations. Part II. Dynamics consequences Physical Chemistry Chemical Physics, 13 (32). pp. 14531-14541. ISSN 1463-9076

Ghanta, S. ; Reddy, Sivaranjana V. ; Mahapatra, S. (2011) Theoretical study of the electronically excited radical cations of naphthalene and anthracene as archetypal models for astrophysical observations. Part II. Dynamics consequences Physical Chemistry Chemical Physics, 13 (32). pp. 14531-14541. ISSN 1463-9076

Kumar, R.R. ; Sivaranjana Reddy, V. ; Mahapatra, S. (2010) (B+E⊗b)⊗e Jahn–Teller and pseudo-Jahn–Teller effects in the spiropentane radical cation Chemical Physics, 373 (3). pp. 228-237. ISSN 0301-0104

Philis, J. G. ; Mondal, T. ; Mahapatra, S. (2010) Vibronic structure in the low lying Rydberg states of hexafluorobenzene and 1,3,5-trifluorobenzene detected by two-photon spectroscopy Chemical Physics Letters, 495 (4-6). pp. 187-191. ISSN 0009-2614

Reddy, Sivaranjana V. ; Ghanta, S. ; Mahapatra, S. (2010) First principles quantum dynamical investigation provides evidence for the role of polycyclic aromatic hydrocarbon radical cations in interstellar physics Physical Review Letters, 104 (11). Article ID 111102. ISSN 0031-9007

Mondal, T. ; Mahapatra, S. (2010) Photophysics of fluorinated benzene. I. Quantum chemistry The Journal of Chemical Physics, 133 (8). Article ID 084304. ISSN 0021-9606

Mondal, T. ; Mahapatra, S. (2010) Photophysics of fluorinated benzene. II. Quantum dynamics The Journal of Chemical Physics, 133 (8). Article ID 084305. ISSN 0021-9606

Rao, Rajagopala T. ; Rao, Jayachander B. ; Mahapatra, S. (2009) Quantum nonadiabatic dynamics of hydrogen exchange reactions Chemical Physics Letters, 365 (3). pp. 129-137. ISSN 0009-2614

Rao, B. Jayachander ; Mahapatra, S. (2009) Nonadiabatic quantum wave packet dynamics of the H + H₂ reaction including the coriolis coupling Journal of Chemical Sciences, 121 (5). pp. 789-795. ISSN 0974-3626

Mondal, T. ; Saritha, B. ; Ghanta, S. ; Roy, T. K. ; Mahapatra, S. ; Durga Prasad, M. (2009) On some strategies to design new high energy density molecules Journal of Molecular Structure: Theochem, 897 (1-3). pp. 42-47. ISSN 0166-1280

Reddy, Sivaranjana V. ; Mahapatra, S. (2009) Electronic nonadiabatic interactions and ultrafast internal conversion in phenylacetylene radical cation The Journal of Chemical Physics, 130 (12). Article ID 124303. ISSN 0021-9606

Mahapatra, Susanta (2009) Excited electronic states and nonadiabatic effects in contemporary chemical dynamics Accounts of Chemical Research, 42 (8). pp. 1004-1015. ISSN 0001-4842

Mondal, T. ; Mahapatra, S. (2009) The Jahn–Teller and pseudo-Jahn–Teller effects in the low-lying electronic states of 1,3,5-trifluorobenzene radical cation Physical Chemistry Chemical Physics, 11 (46). pp. 10867-10880. ISSN 1463-9076

Faraji, Shirin ; Köppel, Horst ; Eisfeld, Wolfgang ; Mahapatra, Susanta (2008) Towards a higher-order description of Jahn–Teller coupling effects in molecular spectroscopy: The A^~2E^" state of NO₃ Chemical Physics Letters, 347 (1-3). pp. 110-119. ISSN 0009-2614

Ghanta, S. ; Mahapatra, S. (2008) Vibronic dynamics in the low-lying coupled electronic states of methyl cyanide radical cation Chemical Physics Letters, 347 (1-3). pp. 97-109. ISSN 0009-2614

Mondal, T. ; Mahapatra, S. (2008) Complex dynamics at conical intersections: vibronic spectra and ultrafast decay of electronically excited trifluoroacetonitrile radical cation The Journal of Physical Chemistry A, 112 (36). pp. 8215-8225. ISSN 1089-5639

Reddy, Sivaranjana V. ; Mahapatra, S. (2008) Photostability of electronically excited polyacenes: a case study of vibronic coupling in the naphthalene radical cation The Journal of Chemical Physics, 128 (9). Article ID 091104. ISSN 0021-9606

Roy, Tapta Kanchan ; Ghanta, Susanta ; Mondal, Tanmoy ; Saritha, Banda ; Mahapatra M., S. (2007) Conformational preferences of mono-substituted cyclohydronitrogens: a theoretical study Journal of Molecular Structure: Theochem, 822 (1-3). pp. 145-150. ISSN 0166-1280

Ghosal, S. ; Rao, Jayachander B. ; Mahapatra, S. (2007) Reactive chemical dynamics through conical intersections Journal of Chemical Sciences, 119 (5). pp. 401-407. ISSN 0253-4134

Ghosal, Subhas ; Mahapatra, Susanta (2007) Nonadiabatic dissociation dynamics of Cl⋯HD van der Waals complex initiated by electron detachment of Cl⁻–HD Journal of Photochemistry and Photobiology A: Chemistry, 190 (2-3). pp. 161-168. ISSN 1010-6030

Lan, Zhenggang ; Dupays, Arnaud ; Vallet, Valérie ; Mahapatra, Susanta ; Domcke, Wolfgang (2007) Photoinduced multi-mode quantum dynamics of pyrrole at the ¹πσ^* – S₀ conical intersections Journal of Photochemistry and Photobiology A: Chemistry, 190 (2-3). pp. 177-189. ISSN 1010-6030

Venkatesan, T. S. ; Mahapatra, S. ; Köppel, H. ; Cederbaum, L. S. (2007) On the Jahn–Teller and pseudo-Jahn–Teller effects in the photoelectron spectrum of cyclopropane Journal of Molecular Structure, 838 (1-3). pp. 100-106. ISSN 0022-2860

Mahapatra, Susanta ; Eisfeld, Wolfgang ; Koppel, Horst (2007) Effects of multimode Jahn-Teller coupling on the photodetachment spectrum of nitrate anion (NO^-₃) Chemical Physics Letters, 441 (1-3). pp. 7-15. ISSN 0009-2614

Rao, Jayachander B. ; Padmanaban, R. ; Mahapatra, S. (2007) Nonadiabatic quantum wave packet dynamics of H+H₂ (HD) reactions Chemical Physics, 333 (2-3). pp. 135-147. ISSN 0301-0104

Venkatesan, T. S. ; Mahapatra, S. ; Meyer, H.-D. ; Köppel, H. ; Cederbaum, L. S. (2007) Multimode Jahn−Teller and pseudo-Jahn−Teller interactions in the cyclopropane radical cation:  complex vibronic spectra and nonradiative decay dynamics The Journal of Physical Chemistry A, 111 (10). pp. 1746-1761. ISSN 1089-5639

Rao, Jayachander B. ; Mahapatra, S. (2007) Quantum wave packet dynamics of N(²D) + H₂ reaction The Journal of Chemical Physics, 127 (24). Article ID 244307. ISSN 0021-9606

Reddy, Sivaranjana V. ; Venkatesan, T. S. ; Mahapatra, S. (2007) Vibronic interactions in the photodetachment spectroscopy of phenide anion The Journal of Chemical Physics, 126 (7). Article ID 074306. ISSN 0021-9606

Kumar, R. R. ; Venkatesan, T. S. ; Mahapatra, S. (2006) Multistate and multimode vibronic dynamics: the Jahn–Teller and pseudo-Jahn–Teller effects in the ethane radical cation Chemical Physics, 329 (1-3). pp. 76-89. ISSN 0301-0104

Venkatesan, T. S. ; Deepika, K. ; Mahapatra, S. (2006) The Jahn–Teller and pseudo-Jahn–Teller effects in the anion photoelectron spectroscopy of B₃ cluster Journal of Computational Chemistry, 27 (10). pp. 1093-1100. ISSN 0192-8651

Padmanaban, R. ; Mahapatra, S. (2006) Coriolis-coupled wave packet dynamics of H + HLi reaction The Journal of Physical Chemistry A, 110 (18). pp. 6039-6046. ISSN 1089-5639

Padmanaban, R. ; Mahapatra, S. (2006) Resonances in H+HLi scattering for nonzero total angular momentum (J>0): a time-dependent wave packet approach Journal of Theoretical and Computational Chemistry, 05 (04). p. 871. ISSN 0219-6336

Krishnan, Gireesh M. ; Ghosal, Subhas ; Mahapatra, Susanta (2006) Theoretical study of the electronic nonadiabatic transitions in the photoelectron spectroscopy of F₂O The Journal of Physical Chemistry A, 110 (3). pp. 1022-1030. ISSN 1089-5639

Venkatesan, T. S. ; Mahapatra, S. (2005) Exploring the Jahn-Teller and pseudo-Jahn-Teller conical intersections in the ethane radical cation The Journal of Chemical Physics, 123 (11). Article ID 114308. ISSN 0021-9606

Venkatesan, T. S. ; Mahapatra, S. (2005) Exploring the Jahn-Teller and pseudo-Jahn-Teller conical intersections in the ethane radical cation The Journal of Chemical Physics, 123 (11). Article ID 114308. ISSN 0021-9606

Jayachander Rao, B. ; Mahapatra, S. ; Köppel, H. ; Jungen, M. (2005) On the (E⊗e)- Jahn-Teller conical intersections in the 3p(Eʹ) and 3d(E") Rydberg electronic states of triatomic hydrogen The Journal of Chemical Physics, 123 (13). Article ID 134325. ISSN 0021-9606

Jayachander Rao, B. ; Mahapatra, S. ; Koppel, H. ; Jungen, M. (2005) On the (E⊗e)-Jahn-Teller conical intersections in the 3p(E′) and 3d(E″) Rydberg electronic states of triatomic hydrogen The Journal of Chemical Physics, 123 (13). Article ID 134325. ISSN 0021-9606

Vallet, Valérie ; Lan, Zhenggang ; Mahapatra, Susanta ; Sobolewski, Andrzej L. ; Domcke, Wolfgang (2005) Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the ¹πσ^*-S₀ The Journal of Chemical Physics, 123 (14). Article ID 144307. ISSN 0021-9606

Mahapatra, S. ; Vallet, V. ; Woywod, C. ; Köppel, H. ; Domcke, W. (2005) Remarkable impact of intermode couplings on multimode vibronic dynamics: the photoelectron spectrum of CH₃F The Journal of Chemical Physics, 123 (23). Article ID 231103. ISSN 0021-9606

Markmann, Andreas ; Worth, Graham A. ; Mahapatra, Susanta ; Meyer, Hans-Dieter ; Köppel, Horst ; Cederbaum, Lorenz S. (2005) Simulation of a complex spectrum: Interplay of five electronic states and 21 vibrational degrees of freedom in C₅H₄⁺ The Journal of Chemical Physics, 123 (20). Article ID 204310. ISSN 0021-9606

Lan, Zhenggang ; Domcke, Wolfgang ; Vallet, Valerie ; Sobolewski, Andrzej L. ; Mahapatra, Susanta (2005) Time-dependent quantum wave-packet description of the ¹πσ* photochemistry of phenol The Journal of Chemical Physics, 122 (22). Article ID 224315. ISSN 0021-9606

Ghosal, Subhas ; Mahapatra, Susanta (2005) A quantum wave packet dynamical study of the electronic and spin−orbit coupling effects on the resonances in Cl(²P) + H₂ scattering The Journal of Physical Chemistry A, 109 (8). pp. 1530-1540. ISSN 1089-5639

Mahapatra, Susanta ; Vallet, V. ; Woywod, C. ; Koppel, H. ; Domcke, W. (2004) Multimode Jahn–Teller and pseudo-Jahn–Teller coupling effects in the photoelectron spectrum of CH₃F Chemical Physics, 304 (1-2). pp. 17-34. ISSN 0301-0104

Ghosal, Subhas ; Mahapatra, Susanta (2004) Theoretical study of the photodetachment spectroscopy of ClH^-₂ Chemical Physics Letters, 394 (1-3). pp. 207-214. ISSN 0009-2614

Mahapatra, Susanta (2004) Quantum non-adiabatic dynamics through conical intersections: spectroscopy to reactive scattering International Reviews in Physical Chemistry, 23 (4). pp. 483-512. ISSN 0144-235X

Padmanaban, R. ; Mahapatra, S. (2004) Quantum wave-packet dynamics of H+HLi scattering: reaction cross section and thermal rate constant The Journal of Chemical Physics, 121 (16). Article ID 7681. ISSN 0021-9606

Padmanaban, R. ; Mahapatra, S. (2004) Resonances in three-dimensional H+HLi scattering: a time-dependent wave packet dynamical study The Journal of Chemical Physics, 120 (4). pp. 1746-1755. ISSN 0021-9606

Venkatesan, T. S. ; Mahapatra, S. ; Cederbaum, L. S. ; Koppel, H. (2004) Theoretical investigation of Jahn−Teller dynamics in the ²E‘ electronic ground state of the cyclopropane radical cation The Journal of Physical Chemistry A, 108 (12). pp. 2256-2267. ISSN 1089-5639

Vallet, Valerie ; Lan, Zhenggang ; Mahapatra, Susanta ; Sobolewski, Andrzej L. ; Domcke, Wolfgang (2004) Time-dependent quantum wave-packet description of the ¹πσ* photochemistry of pyrrole Faraday Discussions, 127 . pp. 283-293. ISSN 1359-6640

Ghosal, Subhas ; Mahapatra, Susanta (2004) A time-dependent wave packet study of the vibronic and spin-orbit interactions in the dynamics of Cl(²P)+H₂→HCl(X̃ ¹Σg+)+H(²S) reaction The Journal of Chemical Physics, 121 (12). Article ID 5740. ISSN 0021-9606

Krishnan, Gireesh M. ; Mahapatra, Susanta (2003) Probing the ²B₂–²A₁ conically intersecting electronic states of ClO₂ through photodetachment spectroscopy of its negative ion The Journal of Chemical Physics, 118 (19). pp. 8715-8725. ISSN 0021-9606

Mahapatra, Susanta ; Ritschel, Thomas (2003) Multistate vibronic interactions and nonadiabatic wave packet dynamics in the second photoelectron band of chlorine dioxide Chemical Physics, 289 (2-3). pp. 291-307. ISSN 0301-0104

Padmanaban, R. ; Mahapatra, S. (2002) Time-dependent wave packet dynamics of the H+HLi reactive scattering The Journal of Chemical Physics, 117 (14). pp. 6469-6477. ISSN 0021-9606

Mahapatra, Susanta (2002) Unraveling the highly overlapping òB₂–B˜²A₁ photoelectron bands of Cl₂O: Nonadiabatic effects due to conical intersection The Journal of Chemical Physics, 116 (20). pp. 8817-8826. ISSN 0021-9606

Ritschel, Thomas ; Mahapatra, Susanta ; Zülicke, Lutz (2001) Quasiclassical dynamics of proton scattering by N₂(¹Σ⁺_g) on an improved ab initio potential energy surface Chemical Physics, 271 (1-2). pp. 155-164. ISSN 0301-0104

Mahapatra, S. ; Worth, G. A. ; Meyer, H.-D. ; Cederbaum, L. S. ; Koppel, H. (2001) The òE/B̃²B₂photoelectron bands of allene beyond the linear coupling scheme: an ab initio dynamical study including all fifteen vibrational modes† The Journal of Physical Chemistry A, 105 (23). pp. 5567-5576. ISSN 1089-5639

Koppel, H. ; Gronki, J. ; Mahapatra, S. (2001) Construction scheme for regularized diabatic states The Journal of Chemical Physics, 115 (6). pp. 2377-2388. ISSN 0021-9606

Mahapatra, Susanta ; Krishnan, Gireesh M. (2001) Photoelectron spectroscopy of chlorine dioxide and its negative ion: a quantum dynamical study The Journal of Chemical Physics, 115 (15). pp. 6951-6960. ISSN 0021-9606

Mahapatra, Susanta ; Koppel, Horst ; Cederbaum, Lorenz S. (2001) Reactive scattering dynamics on conically intersecting potential energy surfaces: the H + H₂ exchange reaction† The Journal of Physical Chemistry A, 105 (11). pp. 2321-2329. ISSN 1089-5639

Mahapatra, S. ; Koppel, H. ; Cederbaum, L. S. ; Stampfuß, P. ; Wenzel, W. (2000) Nonadiabatic wave packet dynamics on the coupled X˜²A₁/òB₂ electronic states of NO₂ based on new ab initio potential energy surfaces Chemical Physics, 259 (2-3). pp. 211-226. ISSN 0301-0104

Koppel, H. ; Doscher, M. ; Mahapatra, S. (2000) Femtosecond wavepacket dynamics on strongly coupled potential energy surfaces International Journal of Quantum Chemistry, 80 (4-5). pp. 942-949. ISSN 0020-7608

Mahapatra, Susanta (2000) State specific dynamics of the H^-+H₂→H₂+H^- reaction: Energy resolved total reaction probabilities by the time-dependent wave packet method Physical Chemistry Chemical Physics, 2 (4). pp. 671-677. ISSN 1463-9076

Mahapatra, S. ; Koppel, H. ; Cederbaum, L. S. (1999) Impact of nonadiabatic coupling between the conically intersecting X̃²A₁ and òB₂ states of NO₂ on the negative ion photoelectron spectra of NO^-₂ The Journal of Chemical Physics, 110 (12). pp. 5691-5701. ISSN 0021-9606

Mahapatra, S. ; Koppel, H. (1999) Semiclassical approach to the Rydberg emission spectra of H₃ and its isotopomers Chemical Physics Letters, 306 (5-6). pp. 387-394. ISSN 0009-2614

Mahapatra, S. ; Cederbaum, L. S. ; Koppel, H. (1999) Theoretical investigation of Jahn–Teller and pseudo-Jahn–Teller coupling effects on the photoelectron spectrum of allene The Journal of Chemical Physics, 111 (23). pp. 10452-10463. ISSN 0021-9606

Mahapatra, Susanta ; Vetter, R. ; Zuhrt, Ch. ; Nguyen, H. T. ; Ritschel, Th. ; Zülicke, L. (1998) Ground state potential energy surface, 3D time-dependent intramolecular dynamics and vibrational states of the N₂H⁺ molecular ion Chemical Physics Letters, 285 (1-2). pp. 41-48. ISSN 0009-2614

Mahapatra, Susanta ; Koppel, Horst (1998) Quantum mechanical study of optical emission spectra of Rydberg-excited H₃ and its isotopomers Physical Review Letters, 81 (15). pp. 3116-3119. ISSN 0031-9007

Mahapatra, Susanta ; Koppel, Horst (1998) Spectra and time-dependent dynamics of H₃ near the conical intersection in the (2p)1E′ ground electronic manifold The Journal of Chemical Physics, 109 (5). pp. 1721-1733. ISSN 0021-9606

Mahapatra, Susanta ; Vetter, R. ; Zuhrt, Ch. ; Nguyen, H. T. ; Ritschel, T. ; Zülicke, L. (1997) Bound states and time-dependent dynamics of the N₂H⁺ molecular ion in its ground electronic state. I. 2D treatment The Journal of Chemical Physics, 107 (8). pp. 2930-2941. ISSN 0021-9606

Mahapatra, Susanta ; Sathyamurthy, N. ; Ramaswamy, Ramakrishna (1997) Resonances and chaos in the collinear collision system (He, H₂⁺) and its isotopic variants Pramana - Journal of Physics, 48 (2). pp. 411-424. ISSN 0304-4289

Mahapatra, S. ; Sathyamurthy, N. (1997) Resonances in He + H₂⁺→HeH⁺ + H reaction in three-dimensions: energy resolved total reaction probabilities by the time-dependent wave packet method The Journal of Chemical Physics, 107 (17). pp. 6621-6626. ISSN 0021-9606

Shresth, R. S. ; Manickavasagam, R. ; Mahapatra, Susanta ; Sathyamurthy, N. (1996) Possibility of proton oscillations through the benzene ring Current Science, 71 (1). pp. 49-50. ISSN 0011-3891

Mahapatra, Susanta ; Sathyamurthy, N. (1996) Resonances in collinear H^- + H₂→ H₂ + H^- reaction: energy-resolved reaction probabilities by the time-dependent wave packet approach The Journal of Physical Chemistry, 100 (8). pp. 2759-2761. ISSN 0022-3654

Mahapatra, Susanta (1996) Time domain analysis of the bound states and resonances of the hydroperoxy radical HO₂: signature of quantum chaos The Journal of Chemical Physics, 105 (1). pp. 344-345. ISSN 0021-9606

Mahapatra, Susanta ; Sathyamurthy, N. ; Kumar, Sanjay ; Gianturco, F. A. (1995) Transition state resonances in collinear (H⁻, H₂) collisions Chemical Physics Letters, 241 (3). pp. 223-228. ISSN 0009-2614