Semiclassical Multistate Dynamics for Six Coupled 5A′ States of O + O2-Reference-Cited by-同舟云学术

Semiclassical Multistate Dynamics for Six Coupled ⁵A′ States of O + O₂

Published:2023-07-13 Issue:14 Volume:19 Page:4389-4401
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Akher Farideh Badichi¹^ORCID,Shu Yinan¹^ORCID,Varga Zoltan¹^ORCID,Truhlar Donald G.¹^ORCID

Affiliation:

1. Department of Chemistry, Chemical Theory Center and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States

Funder

Air Force Office of Scientific Research

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00517

Reference75 articles.

1. Direct molecular simulation of internal energy relaxation and dissociation in oxygen

2. Oxygen Interactions with Silica Surfaces: Coupled Cluster and Density Functional Investigation and the Development of a New ReaxFF Potential

3. Rate Effects in Hypersonic Flows

4. Introductory lecture: Nonadiabatic effects in chemical dynamics

5. Nonadiabatic dynamics with trajectory surface hopping method

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