| Year |
Citation |
Score |
| 2024 |
Deb B, Mahanta H, Baruah NP, Khardewsaw M, Paul AK. On the intramolecular vibrational energy redistribution dynamics of aromatic complexes: A comparative study on C6H6-C6H5Cl, C6H6-C6H3Cl3, C6H6-C6Cl6 and C6H6-C6H5F, C6H6-C6H3F3, C6H6-C6F6. The Journal of Chemical Physics. 160. PMID 38197444 DOI: 10.1063/5.0174748 |
0.784 |
|
| 2023 |
Agarwal A, Boruah PJ, Ahamed SS, Baruah S, Paul AK. Post-Transition State Direct Dynamics Simulations on the Ozonolysis of Catechol in an N Bath and Comparison with Gas-Phase Results. The Journal of Physical Chemistry. A. PMID 37531625 DOI: 10.1021/acs.jpca.3c03326 |
0.795 |
|
| 2023 |
Deb B, Anal SRN, Mahanta H, Paul AK. Unimolecular dissociation of C6H6-C6H5Cl, C6H6-C6H3Cl3, and C6H6-C6Cl6 complexes using machine learning approach. The Journal of Chemical Physics. 158. PMID 37184007 DOI: 10.1063/5.0139864 |
0.778 |
|
| 2022 |
Ahamed SS, Mahanta H, Paul AK. An advanced bath model to simulate association followed by ensuing dissociation dynamics of benzene + benzene system: a comparative study of gas and condensed phase results. Physical Chemistry Chemical Physics : Pccp. PMID 36164966 DOI: 10.1039/d2cp02483g |
0.788 |
|
| 2022 |
Agarwal A, Boruah PJ, Sarkar B, Paul AK. Post-Transition-State Direct Dynamics Simulations on the Ozonolysis of Catechol. The Journal of Physical Chemistry. A. 126: 5314-5327. PMID 35943451 DOI: 10.1021/acs.jpca.2c04028 |
0.762 |
|
| 2022 |
Mahanta H, Paul AK. Dynamical Behavior of Aromatic Trimer Complexes in Unimolecular Dissociation Reaction at High Temperatures. Case Studies on CH-CF-CH and CH Trimer Complexes. The Journal of Physical Chemistry. A. PMID 34994202 DOI: 10.1021/acs.jpca.1c09073 |
0.82 |
|
| 2021 |
Mahanta H, Paul AK. Unimolecular Dissociation of CH-CCl Complex and Effect of Mode-Mode Coupling. The Journal of Physical Chemistry. A. PMID 34192876 DOI: 10.1021/acs.jpca.1c01851 |
0.794 |
|
| 2020 |
Ahamed SS, Kim H, Paul AK, West NA, Winner JD, Donzis DA, North SW, Hase WL. Comparison of intermolecular energy transfer from vibrationally excited benzene in mixed nitrogen-benzene baths at 140 K and 300 K. The Journal of Chemical Physics. 153: 144116. PMID 33086796 DOI: 10.1063/5.0021293 |
0.805 |
|
| 2020 |
Mahanta H, N S, Misra R, Paul AK. Unimolecular dissociation dynamics of C6H6–C6Cl6 complex and the effect of anharmonicity International Journal of Mass Spectrometry. 456: 116392. DOI: 10.1016/j.ijms.2020.116392 |
0.766 |
|
| 2020 |
Ahamed SS, Kumar P, Kalita H, Paul AK. Mode‐to‐Mode Collision Energy Transfer from Vibrationally Excited C
6
F
6
to NO/N
2
Mixed Bath with the Development of New Potential Energy Functions Chemistryselect. 5: 10475-10487. DOI: 10.1002/SLCT.202002600 |
0.727 |
|
| 2019 |
Ahamed SS, Mahanta H, Paul AK. A Competition Between Dissociation Pathway and Energy Transfer Pathway: Unimolecular Dissociation of Benzene-Hexafluorobenzene Complex in Nitrogen Bath. The Journal of Physical Chemistry. A. PMID 31755713 DOI: 10.1021/acs.jpca.9b07258 |
0.789 |
|
| 2019 |
Mahanta H, Baishya D, Ahamed SS, Paul AK. Chemical Dynamics Simulations on Association and Ensuing Dissociation of Benzene-Hexafluorobenzene Molecular System. The Journal of Physical Chemistry. A. PMID 31145623 DOI: 10.1021/acs.jpca.9b02332 |
0.769 |
|
| 2019 |
Mahanta H, Baishya D, Ahamed SS, Paul AK. A Better Understanding of the Unimolecular Dissociation Dynamics of Weakly Bound Aromatic Compounds at High Temperature: A Study on CH-CF and Comparison with CH Dimer. The Journal of Physical Chemistry. A. PMID 30848910 DOI: 10.1021/acs.jpca.8b12188 |
0.792 |
|
| 2019 |
Ahamed SS, Mahanta H, Paul AK. Unimolecular dissociation of C6H6-C6F6 complex in N2 bath and comparison with gas phase dynamics Chemical Physics Letters. 730: 630-633. DOI: 10.1016/J.CPLETT.2019.06.063 |
0.759 |
|
| 2018 |
Paul AK, West NA, Winner JD, Bowersox RDW, North SW, Hase WL. Non-statistical intermolecular energy transfer from vibrationally excited benzene in a mixed nitrogen-benzene bath. The Journal of Chemical Physics. 149: 134101. PMID 30292226 DOI: 10.1063/1.5043139 |
0.586 |
|
| 2017 |
Paul AK, Donzis D, Hase WL. Collisional Intermolecular Energy Transfer from a N2 Bath at Room Temperature to a Vibrationlly "Cold" C6F6 Molecule Using Chemical Dynamics Simulations. The Journal of Physical Chemistry. A. PMID 28485962 DOI: 10.1021/Acs.Jpca.7B00948 |
0.579 |
|
| 2016 |
Kim H, Paul AK, Pratihar S, Hase WL. Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N2 Collisions. The Journal of Physical Chemistry. A. PMID 27182630 DOI: 10.1021/Acs.Jpca.6B00893 |
0.567 |
|
| 2016 |
Paul AK, Hase WL. A Zero Point Energy Constraint for Unimolecular Dissociation Reactions. Giving Trajectories Multiple Chances to Dissociate Correctly. The Journal of Physical Chemistry. A. PMID 26738691 DOI: 10.1021/Acs.Jpca.5B11352 |
0.541 |
|
| 2015 |
Ma X, Paul AK, Hase WL. Chemical Dynamics Simulations of Benzene Dimer Dissociation. The Journal of Physical Chemistry. A. 119: 6631-40. PMID 26024045 DOI: 10.1021/Acs.Jpca.5B03897 |
0.611 |
|
| 2015 |
Paul AK, Kolakkandy S, Hase WL. Dynamics of Na(+)(Benzene) + Benzene Association and Ensuing Na(+)(Benzene)2* Dissociation. The Journal of Physical Chemistry. A. 119: 7894-904. PMID 25938260 DOI: 10.1021/Acs.Jpca.5B01922 |
0.522 |
|
| 2015 |
Sun R, Granucci G, Paul AK, Siebert M, Liang HJ, Cheong G, Hase WL, Persico M. Potential energy surfaces for the HBr(+) + CO2 → Br + HOCO(+) reaction in the HBr(+) (2)Π3/2 and (2)Π1/2 spin-orbit states. The Journal of Chemical Physics. 142: 104302. PMID 25770535 DOI: 10.1063/1.4913767 |
0.686 |
|
| 2015 |
Kolakkandy S, Paul AK, Pratihar S, Kohale SC, Barnes GL, Wang H, Hase WL. Energy and temperature dependent dissociation of the Na(+)(benzene)1,2 clusters: importance of anharmonicity. The Journal of Chemical Physics. 142: 044306. PMID 25637986 DOI: 10.1063/1.4906232 |
0.723 |
|
| 2015 |
Paul AK, Kohale SC, Hase WL. Bath Model for N2 + C6F6 Gas-Phase Collisions. Details of the Intermolecular Energy Transfer Dynamics Journal of Physical Chemistry C. 119: 14683-14691. DOI: 10.1021/Jp512931N |
0.571 |
|
| 2014 |
Paul AK, Kohale SC, Pratihar S, Sun R, North SW, Hase WL. A unified model for simulating liquid and gas phase, intermolecular energy transfer: N₂ + C₆F₆ collisions. The Journal of Chemical Physics. 140: 194103. PMID 24852526 DOI: 10.1063/1.4875516 |
0.637 |
|
| 2013 |
Mukherjee S, Bandyopadhyay S, Paul AK, Adhikari S. Construction of diabatic Hamiltonian matrix from ab initio calculated molecular symmetry adapted nonadiabatic coupling terms and nuclear dynamics for the excited states of Na3 cluster. The Journal of Physical Chemistry. A. 117: 3475-95. PMID 23521047 DOI: 10.1021/Jp311597C |
0.575 |
|
| 2013 |
Mukherjee S, Bandyopadhyay S, Paul AK, Adhikari S. The molecular symmetry adapted non - adiabatic coupling terms and diabatic Hamiltonian matrix Journal of Physics: Conference Series. 428: 012008. DOI: 10.1088/1742-6596/428/1/012008 |
0.502 |
|
| 2013 |
Sardar S, Mukherjee S, Paul AK, Adhikari S. Conical intersections between and electronic states of Chemical Physics. 416: 11-20. DOI: 10.1016/J.Chemphys.2013.02.006 |
0.499 |
|
| 2011 |
Paul AK, Ray S, Mukhopadhyay D, Adhikari S. 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. The Journal of Chemical Physics. 135: 034107. PMID 21786987 DOI: 10.1063/1.3609247 |
0.596 |
|
| 2011 |
Paul AK, Ray S, Mukhopadhyay D, Adhikari S. Conical intersections in 22E′ states of Na3 cluster Chemical Physics Letters. 508: 300-305. DOI: 10.1016/J.Cplett.2011.03.087 |
0.527 |
|
| 2010 |
Paul AK, Adhikari S, Baer M. Space-time contours to treat intense field-dressed molecular states. The Journal of Chemical Physics. 132: 034303. PMID 20095735 DOI: 10.1063/1.3282333 |
0.555 |
|
| 2010 |
Paul AK, Adhikari S, Baer M, Baer R. H2 +photodissociation by an intense pulsed photonic Fock state Physical Review A. 81. DOI: 10.1103/Physreva.81.013412 |
0.546 |
|
| 2010 |
Paul AK, Adhikari S, Baer M. Space-time contours to treat intense field-dressed molecular states Journal of Chemical Physics. 132. DOI: 10.1063/1.3282333 |
0.556 |
|
| 2010 |
Paul AK, Adhikari S, Baer M. A treatise on the interaction of molecular systems with short-pulsed highly-intense external fields Physics Reports. 496: 79-107. DOI: 10.1016/J.Physrep.2010.07.002 |
0.531 |
|
| 2010 |
Sardar S, Paul AK, Adhikari S. A quantum-classical simulation of the nuclear dynamics in NO 2 − and C6H 6 + with realistic model Hamiltonian Journal of Chemical Sciences. 122: 491-510. DOI: 10.1007/S12039-010-0084-X |
0.629 |
|
| 2010 |
Sardar S, Paul AK, Sharma R, Adhikari S. A “classical” trajectory driven nuclear dynamics by a parallelized quantum-classical approach to a realistic model Hamiltonian of benzene radical cation International Journal of Quantum Chemistry. 111: 2741-2759. DOI: 10.1002/Qua.22578 |
0.642 |
|
| 2009 |
Paul AK, Adhikari S, Mukhopadhyay D, Halász GJ, Vibók A, Baer R, Baer M. Photodissociation of H2(+) upon exposure to an intense pulsed photonic Fock state. The Journal of Physical Chemistry. A. 113: 7331-7. PMID 19552475 DOI: 10.1021/Jp811269G |
0.551 |
|
| 2009 |
Sardar S, Paul AK, Sharma R, Adhikari S. The multistate multimode vibronic dynamics of benzene radical cation with a realistic model Hamiltonian using a parallelized algorithm of the quantumclassical approach. The Journal of Chemical Physics. 130: 144302. PMID 19368440 DOI: 10.1063/1.3108488 |
0.555 |
|
| 2009 |
Sardar S, Paul AK, Adhikari S. A parallelised quantum-classical approach to the molecular dynamics of allene radical cation Molecular Physics. 107: 2467-2479. DOI: 10.1080/00268970903362326 |
0.607 |
|
| 2008 |
Sardar S, Paul AK, Mondal P, Sarkar B, Adhikari S. A quantum-classical approach to the molecular dynamics of butatriene cation with a realistic model Hamiltonian. Physical Chemistry Chemical Physics : Pccp. 10: 6388-98. PMID 18972027 DOI: 10.1039/B805990J |
0.73 |
|
| Show low-probability matches. |