Coupled 3D (<i>J</i> ≥ 0) Time-Dependent Wave Packet Calculation for the F + H<sub>2</sub> Reaction on Accurate Ab Initio Multi-State Diabatic Potential Energy Surfaces-Reference-Cited by-同舟云学术

Coupled 3D (J ≥ 0) Time-Dependent Wave Packet Calculation for the F + H₂ Reaction on Accurate Ab Initio Multi-State Diabatic Potential Energy Surfaces

Published:2024-02-15 Issue:8 Volume:128 Page:1438-1456
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Naskar Koushik¹,Mukherjee Soumya¹,Ghosh Sandip¹²^ORCID,Adhikari Satrajit¹^ORCID

Affiliation:

1. School of Chemical Sciences, Indian Association for the Cultivation of Science 2A & 2B Raja S. C. Mullick Road, Jadavpur, Kolkata 700032, West Bengal, India

2. Department of Chemical Sciences, Indian Institute of Science Education and Research, Kolkata 741246, West Bengal, India

Funder

Council of Scientific and Industrial Research, India

Science and Engineering Research Board

Indian Association for the Cultivation of Science

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c05590

Reference110 articles.

1. Foon, R.; Kaufman, M. In Kinetics of Gaseous Fluorine Reactions; Jennings, K. R., Cundall, R. B., Eds. Pergamon Press; 1975; Vol. 8, pp 81–160.

2. Discovery of Interstellar Hydrogen Fluoride

3. Herschelobservations of EXtra-Ordinary Sources (HEXOS): Detection of hydrogen fluoride in absorption towards Orion KL

4. HIFI detection of hydrogen fluoride in the carbon star envelope IRC +10216

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