Reaction mechanism – explored with the unified reaction valley approach-Reference-Cited by-同舟云学术

Reaction mechanism – explored with the unified reaction valley approach

Published:2023 Issue:47 Volume:59 Page:7151-7165
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Kraka Elfi¹^ORCID,Antonio Juliana J.¹^ORCID,Freindorf Marek¹^ORCID

Affiliation:

1. Computational and Theoretical Chemistry Group (CATCO), Department of Chemistry, Southern Methodist University, 3215 Daniel Ave, Dallas, TX 75275-0314, USA

Abstract

One of the ultimate goals of chemistry is to understand and manipulate chemical reactions, which implies the ability to monitor the reaction and its underlying mechanism at an atomic scale.

Funder

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CC/D3CC01576A

Reference229 articles.

1. High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions

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5. NIST Standard Reference Database Number 69 , ed. P. Linstrom and W. Mallard , National Institute of Standards and Technology , Gaithersburg MD, 20899 , 2022

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