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Theories and simulations of roaming

Published:2017 Issue:24 Volume:46 Page:7615-7624
ISSN:0306-0012
Container-title:Chemical Society Reviews
language:en
Short-container-title:Chem. Soc. Rev.

Author:

Bowman Joel M.¹²³⁴^ORCID,Houston Paul L.⁵⁶⁷⁴⁸^ORCID

Affiliation:

1. Department of Chemistry and Cherry L. Emerson Center for Scientific Computation

2. Emory University Atlanta

3. Georgia 30322

4. USA

5. Department of Chemistry and Chemical Biology

6. Cornell University

7. Ithaca

8. School of Chemistry and Biochemistry

Abstract

We review the theories and simulations that have recently been developed to address and understand a new reaction phenomenon called roaming.

Funder

Army Research Office

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CS/C7CS00578D

Reference87 articles.

1. Photofragmentation dynamics of formaldehyde: H2(v, J) distributions

2. Photodissociation dynamics of formaldehyde: H2 rotational distributions and product quantum state correlations

3. The effect of parent rotational state on fragment anisotropy and application to formaldehyde

4. Evidence for a second molecular channel in the fragmentation of formaldehyde

5. The Roaming Atom: Straying from the Reaction Path in Formaldehyde Decomposition

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1. Direct tracking of H2 roaming reaction in real time;Nature Communications;2024-08-06

2. Roaming in acetaldehyde;The Journal of Chemical Physics;2024-06-24

3. Direct Observation of a Roaming Intermediate and Its Dynamics;Journal of the American Chemical Society;2024-04-29

4. Initial-site characterization of hydrogen migration following strong-field double-ionization of ethanol;Nature Communications;2024-01-02

5. Roaming Dynamics in Hydroxymethyl Hydroperoxide Decomposition Revealed by the Full-Dimensional Potential Energy Surface of the CH₂OO + H₂O Reaction;The Journal of Physical Chemistry A;2023-10-23

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