3D time-dependent wave-packet approach in hyperspherical coordinates for the H + O2 reaction on the CHIPR and DMBE IV potential energy surfaces-Reference-Cited by-同舟云学术

3D time-dependent wave-packet approach in hyperspherical coordinates for the H + O2 reaction on the CHIPR and DMBE IV potential energy surfaces

Author:

Ghosh Sandip¹²³⁴,Sharma Rahul⁵⁶⁷⁴,Adhikari Satrajit¹²³⁴^ORCID,Varandas António J. C.⁸⁹¹⁰¹¹¹²

Affiliation:

1. Department of Physical Chemistry

2. Indian Association for the Cultivation of Science

3. Kolkata-700032

4. India

5. Department of Chemistry

6. St. Xaviers’ College

7. Kolkata-700016

8. Departamento de Química

9. and Centro de Química

10. Universidade de Coimbra

11. 3004-535 Coimbra

12. Portugal

Abstract

3D wavepacket quantum dynamics methodology ICS calculation of H + O₂ reaction on the CHIPR and DMBE IV PESs by J-shifting scheme.

Funder

Science and Engineering Research Board

Fundação para a Ciência e a Tecnologia

European Cooperation in Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference95 articles.

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