Beyond Born–Oppenheimer constructed diabatic potential energy surfaces for F + H2 reaction-Reference-Cited by-同舟云学术

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Beyond Born–Oppenheimer constructed diabatic potential energy surfaces for F + H2 reaction

Published:2020-11-07 Issue:17 Volume:153 Page:174301
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Mukherjee Bijit¹,Naskar Koushik¹,Mukherjee Soumya¹,Ravi Satyam¹,Shamasundar K. R.²^ORCID,Mukhopadhyay Debasis³,Adhikari Satrajit¹^ORCID

Affiliation:

1. School of Chemical Sciences, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700 032, India

2. Department of Chemical Science, Indian Institute of Science Education and Research, Mohali, India

3. Department of Chemistry, University of Calcutta, Kolkata 700 009, India

Funder

Science and Engineering Research Board

Council of Scientific and Industrial Research, India

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0021885

Reference78 articles.

2. Temperature dependence of the vibrational energy distributions in the reactions F + H2 and F + D2

3. Energy Distribution Among Reaction Products. VI. F+H2, D2

4. An experimental test of the Bernstein—Levine theory of branching ratios

5. The reaction of F + H2? HF + H. A case study in reaction dynamics

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1. Beyond Born-Oppenheimer Treatment for Multi-State Photoelectron Spectra, Phase Transitions of Solids and Scattering Processes;Journal of Physics: Conference Series;2024-05-01

2. Coupled 3D (J ≥ 0) Time-Dependent Wave Packet Calculation for the F + H₂ Reaction on Accurate Ab Initio Multi-State Diabatic Potential Energy Surfaces;The Journal of Physical Chemistry A;2024-02-15

3. Photoelectron spectra of benzene: Can path dependent diabatic surfaces provide unique observables?;The Journal of Chemical Physics;2023-12-28

4. Curl condition: Existence of sub‐Hilbert space for molecular species or chemical processes;International Journal of Quantum Chemistry;2023-08-24

5. Construction of Beyond Born‐Oppenheimer Based Diabatic Surfaces and Generation of Photoabsorption Spectra: The Touchstone Pyrazine (C ₄ N ₂ H ₄ );ChemPhysChem;2022-10-13

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