Deconstructing field-induced ketene isomerization through Lagrangian descriptors-Reference-Cited by-同舟云学术

Deconstructing field-induced ketene isomerization through Lagrangian descriptors

Published:2016 Issue:5 Volume:18 Page:4008-4018
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Craven Galen T.¹²³⁴⁵,Hernandez Rigoberto¹²³⁴⁵^ORCID

Affiliation:

1. Center for Computational Molecular Science and Technology

2. School of Chemistry and Biochemistry

3. Georgia Institute of Technology

4. Atlanta

5. USA

Abstract

Phase space contours (shown in color) constructed using the method of Lagrangian descriptors resolve the separatrices governing state transitions on the reaction-path potential energy surface (shown in white) for field-induced ketene isomerization.

Funder

Air Force Office of Scientific Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP06624G

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