Mahapatra S - Search Results

1

Unraveling the effect of reagent vibrational excitation on the scattering mechanism of the benchmark H + H₂ → H₂ + H hydrogen exchange reaction in the coupled 1²E' ground electronic manifold.

Sahoo J, Goswami S, Mahapatra S. Sahoo J, et al. Among authors: mahapatra s. Phys Chem Chem Phys. 2024 Dec 18;27(1):138-155. doi: 10.1039/d4cp03433c. Phys Chem Chem Phys. 2024. PMID: 39629597

2

Time-dependent quantum wave packet dynamics of the C + OH reaction on the excited electronic state.

Rao TR, Goswami S, Mahapatra S, Bussery-Honvault B, Honvault P. Rao TR, et al. Among authors: mahapatra s. J Chem Phys. 2013 Mar 7;138(9):094318. doi: 10.1063/1.4793395. J Chem Phys. 2013. PMID: 23485305

3

Time-dependent quantum wave packet dynamics of S + OH reaction on its electronic ground state.

Goswami S, Rao TR, Mahapatra S, Bussery-Honvault B, Honvault P. Goswami S, et al. Among authors: mahapatra s. J Phys Chem A. 2014 Aug 7;118(31):5915-26. doi: 10.1021/jp504757g. Epub 2014 Jul 23. J Phys Chem A. 2014. PMID: 25010948

4

Effect of Reagent Vibration and Rotation on the State-to-State Dynamics of the Hydrogen Exchange Reaction, H + H₂ → H₂ + H.

Goswami S, Sahoo J, Paul SK, Rao TR, Mahapatra S. Goswami S, et al. Among authors: mahapatra s. J Phys Chem A. 2020 Nov 12;124(45):9343-9359. doi: 10.1021/acs.jpca.0c06707. Epub 2020 Oct 30. J Phys Chem A. 2020. PMID: 33124827

5

Theoretical Study of the Energy Disposal Mechanism and the State-Resolved Quantum Dynamics of the H + LiH⁺ → H₂ + Li⁺ Reaction.

Sahoo J, Rawat AMS, Mahapatra S. Sahoo J, et al. Among authors: mahapatra s. J Phys Chem A. 2021 Apr 29;125(16):3387-3397. doi: 10.1021/acs.jpca.1c01811. Epub 2021 Apr 20. J Phys Chem A. 2021. PMID: 33876630

6

Quantum interference in the mechanism of H + LiH⁺ → H₂ + Li⁺ reaction dynamics.

Sahoo J, Rawat AMS, Mahapatra S. Sahoo J, et al. Among authors: mahapatra s. Phys Chem Chem Phys. 2021 Dec 15;23(48):27327-27339. doi: 10.1039/d1cp04120g. Phys Chem Chem Phys. 2021. PMID: 34853838

7

Electronic nonadiabatic effects in the state-to-state dynamics of the H + H₂ → H₂ + H exchange reaction with a vibrationally excited reagent.

Sahoo J, Mahapatra S. Sahoo J, et al. Among authors: mahapatra s. Phys Chem Chem Phys. 2023 Oct 25;25(41):28309-28325. doi: 10.1039/d3cp02409a. Phys Chem Chem Phys. 2023. PMID: 37840347

8

Combined Quantum Mechanical and Quasi-Classical State-to-State Dynamical Study on the Isotopic Effect in H/D + LiH⁺/LiD⁺ → H₂/HD/D₂ + Li⁺ Reactions.

Rawat AMS, Sahoo J, Mahapatra S. Rawat AMS, et al. Among authors: mahapatra s. J Phys Chem A. 2023 Dec 28;127(51):10733-10746. doi: 10.1021/acs.jpca.3c04131. Epub 2023 Dec 14. J Phys Chem A. 2023. PMID: 38096485

9

Controlled intramolecular H-transfer in malonaldehyde in the electronic ground state mediated through the conical intersection of ¹nπ* and ¹ππ* excited electronic states.

Nandipati KR , Kanakati AK , Singh H , Mahapatra S . Nandipati KR , et al. Among authors: mahapatra s. Phys Chem Chem Phys. 2019 Sep 18;21(36):20018-20030. doi: 10.1039/c9cp03762d. Phys Chem Chem Phys. 2019. PMID: 31478035

10

The Jahn-Teller and pseudo-Jahn-Teller effects in the propyne radical cation.

Kanakati AK, Rani VJ, Mahapatra S. Kanakati AK, et al. Among authors: mahapatra s. Phys Chem Chem Phys. 2022 Jul 13;24(27):16522-16537. doi: 10.1039/d2cp01930b. Phys Chem Chem Phys. 2022. PMID: 35786726

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