| Year |
Citation |
Score |
| 2023 |
Rani M, Kanakati AK, Mahapatra S. Photoionization Bands of Cyanogen: Multi-Mode Vibronic Coupling and Renner-Teller Effects. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 24: e202200882. PMID 37212395 DOI: 10.1002/cphc.202200882 |
0.475 |
|
| 2020 |
Sathyamurthy N, Mahapatra S. Time-dependent quantum mechanical wave packet dynamics. Physical Chemistry Chemical Physics : Pccp. PMID 33306771 DOI: 10.1039/d0cp03929b |
0.64 |
|
| 2019 |
Nandipati KR, Kanakati AK, Singh H, Mahapatra S. Controlled intramolecular H-transfer in malonaldehyde in the electronic ground state mediated through the conical intersection of nπ* and ππ* excited electronic states. Physical Chemistry Chemical Physics : Pccp. PMID 31478035 DOI: 10.1039/C9Cp03762D |
0.497 |
|
| 2019 |
Reddy SR, Ghosh A, Mahapatra S. Electronic spectroscopy of carbon chains (C2n+1, n = 7–10) of astrophysical importance. I. Quantum chemistry Journal of Chemical Physics. 151: 54303. DOI: 10.1063/1.5108725 |
0.548 |
|
| 2019 |
Ghosh A, Rajak K, Kanakati AK, Mahapatra S. Renner-Teller and pseudo-Renner-Teller interactions in the electronic ground and excited states of the dicyanoacetylene radical cation: Assignment of vibronic spectrum and elucidation of nonradiative and radiative decay mechanisms Computational and Theoretical Chemistry. 1155: 109-124. DOI: 10.1016/J.Comptc.2019.03.010 |
0.543 |
|
| 2018 |
Rajak K, Ghosh A, Mahapatra S. Vibronic Coupling in the First Five Electronic States of Dicyanodiacetylene Radical Cation. The Journal of Physical Chemistry. A. PMID 30296089 DOI: 10.1021/Acs.Jpca.8B08171 |
0.562 |
|
| 2018 |
Rajak K, Ghosh A, Mahapatra S. Photophysics of phenol and pentafluorophenol: The role of nonadiabaticity in the optical transition to the lowest bright 1ππ* state. The Journal of Chemical Physics. 148: 054301. PMID 29421886 DOI: 10.1063/1.5015986 |
0.584 |
|
| 2018 |
Goswami S, Sahoo J, Rao TR, Bussery-Honvault B, Honvault P, Mahapatra S. A theoretical study on the C + OH reaction dynamics and product energy disposal with vibrationally excited reagent European Physical Journal D. 72: 225. DOI: 10.1140/Epjd/E2018-90424-0 |
0.503 |
|
| 2018 |
Chakraborty S, Mukherjee S, Mahapatra S, Das PK. Infrared Spectral Assignment of Pyrimidine and Pyrazine in the C-H Stretching Region by an Effective Spectroscopic Hamiltonian Vibrational Spectroscopy. 99: 196-203. DOI: 10.1016/J.Vibspec.2018.09.010 |
0.396 |
|
| 2018 |
Sarkar R, Baishya D, Mahapatra S. Photodetachment spectroscopy of carbon doped anionic boron cluster,CB9-: A theoretical study Chemical Physics. 515: 679-691. DOI: 10.1016/J.Chemphys.2018.07.017 |
0.566 |
|
| 2017 |
Sarkar R, Mahapatra S. Theoretical study of photodetachment spectroscopy of hydrogenated boron cluster anion H2B7(-) and its deuterated isotopomer. The Journal of Chemical Physics. 147: 194305. PMID 29166116 DOI: 10.1063/1.4997217 |
0.575 |
|
| 2017 |
Nandipati KR, Lan Z, Singh H, Mahapatra S. An alternative laser driven photodissociation mechanism of pyrrole via πσ*1∕S0 conical intersection. The Journal of Chemical Physics. 146: 214304. PMID 28595406 DOI: 10.1063/1.4984775 |
0.383 |
|
| 2017 |
Nandipati KR, Kanakati AK, Singh H, Lan Z, Mahapatra S. Initial state-specific photodissociation dynamics of pyrrole via 1 π σ ∗ / S 0 conical intersection initiated with optimally controlled UV-laser pulses European Physical Journal D. 71: 222. DOI: 10.1140/Epjd/E2017-70764-Y |
0.368 |
|
| 2017 |
Goswami S, Bussery-Honvault B, Honvault P, Mahapatra S. Effect of internal excitations of reagent diatom on initial state-selected dynamics of C + OH reaction on its second excited (14A″) electronic state* Molecular Physics. 115: 2658-2672. DOI: 10.1080/00268976.2017.1296195 |
0.556 |
|
| 2017 |
Sarkar R, Reddy SR, Mahapatra S, Köppel H. On the Jahn–Teller effect in the X∼2E electronic ground state of CH3F+ Chemical Physics. 482: 39-51. DOI: 10.1016/J.Chemphys.2016.09.011 |
0.781 |
|
| 2016 |
Ghosh A, Reddy SN, Reddy SR, Mahapatra S. Vibronic Coupling in the X̃(2)Πg-Ã(2)Πu Band System of Diacetylene Radical Cation. The Journal of Physical Chemistry. A. PMID 27704833 DOI: 10.1021/Acs.Jpca.6B08892 |
0.548 |
|
| 2016 |
Sarkar R, Mahapatra S. Vibronic Dynamics of Electronic Ground State of CH2F2(+) and Its Deuterated Isotopomer. The Journal of Physical Chemistry. A. PMID 27148869 DOI: 10.1021/Acs.Jpca.6B02260 |
0.585 |
|
| 2015 |
Rao TR, Guillon G, Mahapatra S, Honvault P. Differential Cross Sections and Product Rovibrational Distributions for (16)O+(32)O2 and (18)O+(36)O2 Collisions. The Journal of Physical Chemistry. A. PMID 26524085 DOI: 10.1021/Acs.Jpca.5B08638 |
0.31 |
|
| 2015 |
Marciniak A, Despré V, Barillot T, Rouzée A, Galbraith MC, Klei J, Yang CH, Smeenk CT, Loriot V, Reddy SN, Tielens AG, Mahapatra S, Kuleff AI, Vrakking MJ, Lépine F. XUV excitation followed by ultrafast non-adiabatic relaxation in PAH molecules as a femto-astrochemistry experiment. Nature Communications. 6: 7909. PMID 26268456 DOI: 10.1038/Ncomms8909 |
0.482 |
|
| 2015 |
Reddy SN, Mahapatra S. Theoretical Study on Molecules of Interstellar Interest. II. Radical Cation of Compact Polycyclic Aromatic Hydrocarbons. The Journal of Physical Chemistry. B. PMID 26131708 DOI: 10.1021/Acs.Jpcb.5B03614 |
0.499 |
|
| 2015 |
Rajagopala Rao T, Guillon G, Mahapatra S, Honvault P. Quantum dynamics of (16)O + (36)O2 and (18)O + (32)O2 exchange reactions. The Journal of Chemical Physics. 142: 174311. PMID 25956104 DOI: 10.1063/1.4919860 |
0.342 |
|
| 2015 |
Sarkar R, Mahapatra S. Vibronic coupling in the first four electronic states of CH2F+ 2 Molecular Physics. 113: 3073-3084. DOI: 10.1080/00268976.2015.1076081 |
0.576 |
|
| 2015 |
Roy T, Mahapatra S. H + LiH+ collision dynamics at ultracold temperature conditions Chemical Physics. 448: 34-42. DOI: 10.1016/J.Chemphys.2014.12.005 |
0.497 |
|
| 2015 |
Reddy VS, Reddy SN, Mahapatra S. Ultrafast dynamics of electronically excited diborane radical cation Theoretical Chemistry Accounts. 134. DOI: 10.1007/S00214-015-1632-8 |
0.544 |
|
| 2014 |
Rajagopala Rao T, Mahapatra S, Honvault P. 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: 064306. PMID 25134570 DOI: 10.1063/1.4892043 |
0.452 |
|
| 2014 |
Goswami S, Rao TR, Mahapatra S, Bussery-Honvault B, Honvault P. Time-dependent quantum wave packet dynamics of S + OH reaction on its electronic ground state. The Journal of Physical Chemistry. A. 118: 5915-26. PMID 25010948 DOI: 10.1021/Jp504757G |
0.553 |
|
| 2014 |
Reddy SR, Mahapatra S. Theoretical study of photodetachment processes of anionic boron cluster. III. B(7)(-). The Journal of Chemical Physics. 140: 084311. PMID 24588173 DOI: 10.1063/1.4865395 |
0.53 |
|
| 2014 |
Nandipati KR, Singh H, Reddy SN, Kumar KA, Mahapatra S. Optimal initiation of electronic excited state mediated intramolecular H-transfer in malonaldehyde by UV-laser pulses European Physical Journal D. 68: 355. DOI: 10.1140/Epjd/E2014-50486-6 |
0.376 |
|
| 2013 |
Rao TR, Goswami S, Mahapatra S, Bussery-Honvault B, Honvault P. Time-dependent quantum wave packet dynamics of the C + OH reaction on the excited electronic state. The Journal of Chemical Physics. 138: 094318. PMID 23485305 DOI: 10.1063/1.4793395 |
0.559 |
|
| 2013 |
Rajagopala Rao T, Mahapatra S. Theoretical study of ClH2− electron detachment spectroscopy revisited Chemical Physics Letters. 574: 24-31. DOI: 10.1016/J.Cplett.2013.04.039 |
0.53 |
|
| 2012 |
Mondal T, Reddy SR, Mahapatra S. Photophysics of fluorinated benzene. III. Hexafluorobenzene. The Journal of Chemical Physics. 137: 054311. PMID 22894352 DOI: 10.1063/1.4739502 |
0.538 |
|
| 2012 |
Reddy SR, Mahapatra S. Theoretical study of photodetachment processes of anionic boron clusters. II. Dynamics Journal of Chemical Physics. 136: 24323-24323. PMID 22260595 DOI: 10.1063/1.3675166 |
0.532 |
|
| 2012 |
Reddy SR, Mahapatra S. Theoretical study of photodetachment processes of anionic boron clusters. I. Structure Journal of Chemical Physics. 136: 24322-24322. PMID 22260594 DOI: 10.1063/1.3675165 |
0.484 |
|
| 2012 |
Roy T, Mahapatra S. Quantum dynamics of H + LiH reaction and its isotopic variants Journal of Chemical Physics. 136. DOI: 10.1063/1.4707144 |
0.448 |
|
| 2012 |
Reddy SN, Mahapatra S. Theoretical study of electronic absorption spectroscopy of propadienylidene molecule vis-â-vis the observed diffuse interstellar bands Chemical Physics. 403: 1-11. DOI: 10.1016/J.Chemphys.2012.02.024 |
0.439 |
|
| 2011 |
Ghanta S, Reddy VS, Mahapatra S. 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: 14531-14541. PMID 21750791 DOI: 10.1039/C1Cp21084J |
0.416 |
|
| 2011 |
Ghanta S, Reddy VS, Mahapatra S. 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: 14523-14530. PMID 21750790 DOI: 10.1039/C1Cp21083A |
0.557 |
|
| 2011 |
Rao TR, Mahapatra S. Nuclear motion on the orbitally degenerate electronic ground state of fully deuterated triatomic hydrogen Journal of Chemical Physics. 134: 204307-204307. PMID 21639440 DOI: 10.1063/1.3593392 |
0.492 |
|
| 2011 |
Roy T, Rao TR, Mahapatra S. Quantum dynamics of H + LiH+ reaction on its electronic ground state Chemical Physics Letters. 501: 252-256. DOI: 10.1016/J.Cplett.2010.11.075 |
0.537 |
|
| 2010 |
Mondal T, Mahapatra S. Photophysics of fluorinated benzene. II. Quantum dynamics. Journal of Chemical Physics. 133: 84305-84305. PMID 20815567 DOI: 10.1063/1.3465557 |
0.529 |
|
| 2010 |
Mondal T, Mahapatra S. Photophysics of fluorinated benzene. I. Quantum chemistry. The Journal of Chemical Physics. 133: 084304. PMID 20815566 DOI: 10.1063/1.3465555 |
0.523 |
|
| 2010 |
Reddy VS, Ghanta S, Mahapatra S. First principles quantum dynamical investigation provides evidence for the role of polycyclic aromatic hydrocarbon radical cations in interstellar physics. Physical Review Letters. 104: 111102-111102. PMID 20366462 DOI: 10.1103/Physrevlett.104.111102 |
0.415 |
|
| 2010 |
Philis JG, Mondal T, Mahapatra S. Vibronic structure in the low lying Rydberg states of hexafluorobenzene and 1,3,5-trifluorobenzene detected by two-photon spectroscopy Chemical Physics Letters. 495: 187-191. DOI: 10.1016/J.Cplett.2010.07.007 |
0.338 |
|
| 2010 |
Kumar RR, Reddy VS, Mahapatra S. (B + E ⊗ b) ⊗ e Jahn–Teller and pseudo-Jahn–Teller effects in the spiropentane radical cation Chemical Physics. 373: 228-237. DOI: 10.1016/J.Chemphys.2010.05.015 |
0.466 |
|
| 2009 |
Mahapatra S. Excited electronic states and nonadiabatic effects in contemporary chemical dynamics. Accounts of Chemical Research. 42: 1004-15. PMID 19456094 DOI: 10.1021/Ar800186S |
0.569 |
|
| 2009 |
Reddy VS, Mahapatra S. Electronic nonadiabatic interactions and ultrafast internal conversion in phenylacetylene radical cation Journal of Chemical Physics. 130. DOI: 10.1063/1.3089870 |
0.568 |
|
| 2009 |
Mondal T, Mahapatra S. 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: 10867-10880. DOI: 10.1039/B913342A |
0.53 |
|
| 2009 |
Rajagopala Rao T, Jayachander Rao B, Mahapatra S. Quantum nonadiabatic dynamics of hydrogen exchange reactions Chemical Physics. 365: 129-137. DOI: 10.1016/J.Chemphys.2009.10.002 |
0.51 |
|
| 2009 |
Rao BJ, Mahapatra S. Nonadiabatic quantum wave packet dynamics of the H + H2 reaction including the coriolis coupling Journal of Chemical Sciences. 121: 789-795. DOI: 10.1007/S12039-009-0093-9 |
0.573 |
|
| 2008 |
Mondal T, Mahapatra S. Complex dynamics at conical intersections: vibronic spectra and ultrafast decay of electronically excited trifluoroacetonitrile radical cation. The Journal of Physical Chemistry. A. 112: 8215-25. PMID 18700733 DOI: 10.1021/Jp801138A |
0.49 |
|
| 2008 |
Reddy VS, Mahapatra S. Photostability of electronically excited polyacenes: a case study of vibronic coupling in the naphthalene radical cation. Journal of Chemical Physics. 128: 91104-91104. PMID 18331080 DOI: 10.1063/1.2885727 |
0.53 |
|
| 2008 |
Ghanta S, Mahapatra S. Vibronic dynamics in the low-lying coupled electronic states of methyl cyanide radical cation Chemical Physics. 347: 97-109. DOI: 10.1016/J.Chemphys.2007.10.029 |
0.535 |
|
| 2008 |
Faraji S, Köppel H, Eisfeld W, Mahapatra S. Towards a higher-order description of Jahn-Teller coupling effects in molecular spectroscopy: The over(A, ∼)2 E″ state of NO3 Chemical Physics. 347: 110-119. DOI: 10.1016/J.Chemphys.2007.10.006 |
0.814 |
|
| 2007 |
Rao BJ, Mahapatra S. Quantum wave packet dynamics of N(D2)+H2 reaction Journal of Chemical Physics. 127: 244307. PMID 18163675 DOI: 10.1063/1.2806031 |
0.533 |
|
| 2007 |
Jayachander Rao B, Mahapatra S, Köppel H, Jungen M. On the (Emultiply sign in circlee)-Jahn-Teller conical intersections in the 3p(E') and 3d(E") Rydberg electronic states of triatomic hydrogen. The Journal of Chemical Physics. 123: 134325. PMID 16223306 DOI: 10.1063/1.2039747 |
0.565 |
|
| 2007 |
Sivaranjana Reddy V, Venkatesan TS, Mahapatra S. Vibronic interactions in the photodetachment spectroscopy of phenide anion Journal of Chemical Physics. 126. DOI: 10.1063/1.2434978 |
0.553 |
|
| 2007 |
Venkatesan TS, Mahapatra S, Köppel H, Cederbaum LS. On the Jahn-Teller and pseudo-Jahn-Teller effects in the photoelectron spectrum of cyclopropane Journal of Molecular Structure. 838: 100-106. DOI: 10.1016/J.Molstruc.2007.01.007 |
0.801 |
|
| 2007 |
Ghosal S, Mahapatra S. 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: 161-168. DOI: 10.1016/J.Jphotochem.2007.03.001 |
0.544 |
|
| 2007 |
Lan Z, Dupays A, Vallet V, Mahapatra S, Domcke W. Photoinduced multi-mode quantum dynamics of pyrrole at the 1π σ*- S0 conical intersections Journal of Photochemistry and Photobiology a: Chemistry. 190: 177-189. DOI: 10.1016/J.Jphotochem.2007.01.018 |
0.531 |
|
| 2007 |
Mahapatra S, Eisfeld W, Köppel H. Effects of multimode Jahn-Teller coupling on the photodetachment spectrum of nitrate anion (NO3-) Chemical Physics Letters. 441: 7-15. DOI: 10.1016/J.Cplett.2007.04.076 |
0.762 |
|
| 2007 |
Rao BJ, Padmanaban R, Mahapatra S. Nonadiabatic quantum wave packet dynamics of H + H2 (HD) reactions Chemical Physics. 333: 135-147. DOI: 10.1016/J.Chemphys.2007.01.012 |
0.757 |
|
| 2007 |
Ghosal S, Rao BJ, Mahapatra S. Reactive chemical dynamics through conical intersections Journal of Chemical Sciences. 119: 401-407. DOI: 10.1007/S12039-007-0052-2 |
0.493 |
|
| 2006 |
Padmanaban R, Mahapatra S. Coriolis-coupled wave packet dynamics of H + HLi reaction Journal of Physical Chemistry A. 110: 6039-6046. PMID 16671673 DOI: 10.1021/Jp057280V |
0.776 |
|
| 2006 |
Krishnan GM, Ghosal S, Mahapatra S. Theoretical study of the electronic nonadiabatic transitions in the photoelectron spectroscopy of F2O. The Journal of Physical Chemistry. A. 110: 1022-30. PMID 16420003 DOI: 10.1021/Jp0543882 |
0.599 |
|
| 2006 |
Padmanaban R, Mahapatra S. RESONANCES IN H+HLi SCATTERING FOR NONZERO TOTAL ANGULAR MOMENTUM ( J> 0): A TIME-DEPENDENT WAVE PACKET APPROACH Journal of Theoretical and Computational Chemistry. 5: 871-885. DOI: 10.1142/S0219633606002623 |
0.743 |
|
| 2006 |
Kumar RR, Venkatesan TS, Mahapatra S. Multistate and multimode vibronic dynamics: The Jahn–Teller and pseudo-Jahn–Teller effects in the ethane radical cation Chemical Physics. 329: 76-89. DOI: 10.1016/J.Chemphys.2006.06.001 |
0.514 |
|
| 2005 |
Ghosal S, Mahapatra S. 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: 1530-40. PMID 16833474 DOI: 10.1021/Jp044972V |
0.584 |
|
| 2005 |
Mahapatra S, Vallet V, Woywod C, Köppel H, Domcke W. Remarkable impact of intermode couplings on multimode vibronic dynamics: the photoelectron spectrum of CH3F. The Journal of Chemical Physics. 123: 231103. PMID 16392905 DOI: 10.1063/1.2140739 |
0.749 |
|
| 2005 |
Markmann A, Worth GA, Mahapatra S, Meyer HD, Köppel H, Cederbaum LS. Simulation of a complex spectrum: interplay of five electronic states and 21 vibrational degrees of freedom in C5H4 +. The Journal of Chemical Physics. 123: 204310. PMID 16351259 DOI: 10.1063/1.2104531 |
0.812 |
|
| 2005 |
Vallet V, Lan Z, Mahapatra S, Sobolewski AL, Domcke W. Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the 1pi sigma*-S0 conical intersections. The Journal of Chemical Physics. 123: 144307. PMID 16238391 DOI: 10.1063/1.2049250 |
0.526 |
|
| 2005 |
Lan Z, Domcke W, Vallet V, Sobolewski AL, Mahapatra S. Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of phenol. The Journal of Chemical Physics. 122: 224315. PMID 15974676 DOI: 10.1063/1.1906218 |
0.556 |
|
| 2005 |
Venkatesan TS, Mahapatra S. Exploring the Jahn-Teller and pseudo-Jahn-Teller conical intersections in the ethane radical cation Journal of Chemical Physics. 123. DOI: 10.1063/1.2032927 |
0.522 |
|
| 2004 |
Padmanaban R, Mahapatra S. Quantum wave-packet dynamics of H+HLi scattering: Reaction cross section and thermal rate constant Journal of Chemical Physics. 121: 7681-7691. PMID 15485227 DOI: 10.1063/1.1794655 |
0.736 |
|
| 2004 |
Vallet V, Lan Z, Mahapatra S, Sobolewski AL, Domcke W. Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of pyrrole. Faraday Discussions. 127: 283-93. PMID 15471350 DOI: 10.1039/B402979H |
0.552 |
|
| 2004 |
Ghosal S, Mahapatra S. A time-dependent wave packet study of the vibronic and spin-orbit interactions in the dynamics of Cl((2)P)+H(2)-->HCl(X (1)Sigma(g) (+))+H((2)S) reaction. The Journal of Chemical Physics. 121: 5740-53. PMID 15366998 DOI: 10.1063/1.1784781 |
0.517 |
|
| 2004 |
Padmanaban R, Mahapatra S. Resonances in three-dimensional H+HLi scattering: A time-dependent wave packet dynamical study Journal of Chemical Physics. 120: 1746-1755. PMID 15268304 DOI: 10.1063/1.1634559 |
0.734 |
|
| 2004 |
Mahapatra S. Quantum non-adiabatic dynamics through conical intersections: Spectroscopy to reactive scattering International Reviews in Physical Chemistry. 23: 483-512. DOI: 10.1080/01442350500037455 |
0.478 |
|
| 2004 |
Venkatesan TS, Mahapatra S, Cederbaum LS, Köppel H. Theoretical Investigation of Jahn−Teller Dynamics in the2E‘ Electronic Ground State of the Cyclopropane Radical Cation The Journal of Physical Chemistry A. 108: 2256-2267. DOI: 10.1021/Jp037468J |
0.814 |
|
| 2004 |
Ghosal S, Mahapatra S. Theoretical study of the photodetachment spectroscopy of ClH 2- Chemical Physics Letters. 394: 207-214. DOI: 10.1016/J.Cplett.2004.06.135 |
0.51 |
|
| 2004 |
Mahapatra S, Vallet V, Woywod C, Köppel H, Domcke W. Multimode Jahn-Teller and pseudo-Jahn-Teller coupling effects in the photoelectron spectrum of CH3F Chemical Physics. 304: 17-34. DOI: 10.1016/J.Chemphys.2004.04.021 |
0.764 |
|
| 2003 |
Krishnan GM, Mahapatra S. Probing the 2B2–2A1 conically intersecting electronic states of ClO2 through photodetachment spectroscopy of its negative ion The Journal of Chemical Physics. 118: 8715-8725. DOI: 10.1063/1.1566946 |
0.562 |
|
| 2003 |
Mahapatra S, Ritschel T. Multistate vibronic interactions and nonadiabatic wave packet dynamics in the second photoelectron band of chlorine dioxide Chemical Physics. 289: 291-307. DOI: 10.1016/S0301-0104(03)00056-9 |
0.619 |
|
| 2002 |
Padmanaban R, Mahapatra S. Time-dependent wave packet dynamics of the H+HLi reactive scattering Journal of Chemical Physics. 117: 6469-6477. DOI: 10.1063/1.1504702 |
0.736 |
|
| 2002 |
Mahapatra S. Unraveling the highly overlapping Ã2B2 - B̃2A1 photoelectron bands of Cl2O: Nonadiabatic effects due to conical intersection Journal of Chemical Physics. 116: 8817-8826. DOI: 10.1063/1.1471905 |
0.456 |
|
| 2001 |
Mahapatra S, Krishnan GM. Photoelectron spectroscopy of chlorine dioxide and its negative ion: A quantum dynamical study Journal of Chemical Physics. 115: 6951-6960. DOI: 10.1063/1.1405018 |
0.414 |
|
| 2001 |
Köppel H, Gronki J, Mahapatra S. Construction scheme for regularized diabatic states Journal of Chemical Physics. 115: 2377-2388. DOI: 10.1063/1.1383986 |
0.732 |
|
| 2001 |
Mahapatra S, Köppel H, Cederbaum LS. Reactive Scattering Dynamics on Conically Intersecting Potential Energy Surfaces: The H + H2Exchange Reaction† The Journal of Physical Chemistry A. 105: 2321-2329. DOI: 10.1021/Jp003784B |
0.798 |
|
| 2001 |
Mahapatra S, Worth GA, Meyer H, Cederbaum LS, Köppel H. The Ã2E/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: 5567-5576. DOI: 10.1021/Jp003727I |
0.797 |
|
| 2001 |
Ritschel T, Mahapatra S, Zülicke L. Quasiclassical dynamics of proton scattering by N on an improved ab initio potential energy surface Chemical Physics. 271: 155-164. DOI: 10.1016/S0301-0104(01)00405-0 |
0.501 |
|
| 2000 |
Maiti B, Mahapatra S, Sathyamurthy N. A time-dependent quantum mechanical investigation of dynamical resonances in three-dimensional HeH2+ and HeHD+ systems The Journal of Chemical Physics. 113: 59-66. DOI: 10.1063/1.481773 |
0.652 |
|
| 2000 |
Mahapatra S, Köppel H, Cederbaum L, Stampfuß P, Wenzel W. Nonadiabatic wave packet dynamics on the coupled / electronic states of NO2 based on new ab initio potential energy surfaces Chemical Physics. 259: 211-226. DOI: 10.1016/S0301-0104(00)00204-4 |
0.819 |
|
| 2000 |
K�ppel H, D�scher M, Mahapatra S. Femtosecond wavepacket dynamics on strongly coupled potential energy surfaces International Journal of Quantum Chemistry. 80: 942-949. DOI: 10.1002/1097-461X(2000)80:4/5<942::Aid-Qua43>3.0.Co;2-K |
0.568 |
|
| 1999 |
Mahapatra S, Chakrabarti N, Sathyamurthy N. Time correlation function and its unifying role in molecular structure and dynamics International Reviews in Physical Chemistry. 18: 235-262. DOI: 10.1080/014423599229956 |
0.657 |
|
| 1999 |
Mahapatra S, Cederbaum LS, Köppel H. Theoretical investigation of Jahn–Teller and pseudo-Jahn–Teller coupling effects on the photoelectron spectrum of allene The Journal of Chemical Physics. 111: 10452-10463. DOI: 10.1063/1.480435 |
0.801 |
|
| 1999 |
Mahapatra S, Köppel H, Cederbaum LS. Impact of nonadiabatic coupling between the conically intersecting X̃ 2A1 and à 2B2 states of NO2 on the negative ion photoelectron spectra of NO2− The Journal of Chemical Physics. 110: 5691-5701. DOI: 10.1063/1.478467 |
0.773 |
|
| 1999 |
Mahapatra S, Köppel H. Semiclassical approach to the Rydberg emission spectra of H3 and its isotopomers Chemical Physics Letters. 306: 387-394. DOI: 10.1016/S0009-2614(99)00474-1 |
0.714 |
|
| 1998 |
Mahapatra S, Köppel H. Quantum Mechanical Study Of Optical Emission Spectra Of Rydberg-Excited H3And Its Isotopomers Physical Review Letters. 81: 3116-3119. DOI: 10.1103/Physrevlett.81.3116 |
0.664 |
|
| 1998 |
Mahapatra S, Köppel H. Spectra and time-dependent dynamics of H3 near the conical intersection in the (2p)1E′ ground electronic manifold Journal of Chemical Physics. 109: 1721-1733. DOI: 10.1063/1.476746 |
0.771 |
|
| 1998 |
Mahapatra S, Vetter R, Zuhrt C, Nguyen H, Ritschel T, Zülicke L. Ground state potential energy surface, 3D time-dependent intramolecular dynamics and vibrational states of the N2H+ molecular ion Chemical Physics Letters. 285: 41-48. DOI: 10.1016/S0009-2614(97)01470-X |
0.524 |
|
| 1997 |
Mahapatra S, Sathyamurthy N. 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: 6621-6626. DOI: 10.1063/1.474904 |
0.567 |
|
| 1997 |
Mahapatra S, Vetter R, Zuhrt C, Nguyen HT, Ritschel T, Zülicke L. 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: 2930-2941. DOI: 10.1063/1.474651 |
0.512 |
|
| 1997 |
Mahapatra S, Sathyamurthy N. Negative imaginary potentials in time-dependent quantum molecular scattering Journal of the Chemical Society, Faraday Transactions. 93: 773-779. DOI: 10.1039/A605778K |
0.617 |
|
| 1997 |
Mahapatra S, Sathyamurthy N, Ramaswamy R. Resonances and chaos in the collinear collision system (He, H 2 + ) and its isotopic variants Pramana. 48: 411-424. DOI: 10.1007/Bf02845653 |
0.632 |
|
| 1996 |
Mahapatra S, Sathyamurthy N. Collinear (He,HD+) and (He,DH+) collisions: Transition state resonances and dynamics by time‐dependent quantal wave packet approach The Journal of Chemical Physics. 105: 10934-10943. DOI: 10.1063/1.472863 |
0.585 |
|
| 1996 |
Mahapatra S. Time domain analysis of the bound states and resonances of the hydroperoxy radical HO2: Signature of quantum chaos The Journal of Chemical Physics. 105: 344-345. DOI: 10.1063/1.472532 |
0.405 |
|
| 1996 |
Mahapatra S, Ramaswamy R, Sathyamurthy N. Quantum chaos in collinear (He, H2+) collisions The Journal of Chemical Physics. 104: 3989-3997. DOI: 10.1063/1.471254 |
0.612 |
|
| 1996 |
Mahapatra S, Sathyamurthy N. 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: 2759-2761. DOI: 10.1021/Jp952207Y |
0.567 |
|
| 1995 |
Mahapatra S, Sathyamurthy N. Correlation function approach to transition state resonances in collinear (He,H2+) collisions The Journal of Chemical Physics. 102: 6057-6066. DOI: 10.1063/1.469340 |
0.678 |
|
| 1995 |
Mahapatra S, Sathyamurthy N, Kumar S, Gianturco F. Transition state resonances in collinear (H−, H2) collisions Chemical Physics Letters. 241: 223-228. DOI: 10.1016/0009-2614(95)00633-F |
0.614 |
|
| Show low-probability matches. |