The Entropic Origin of Solvent Effects on the Single Bond cZt-tZt Isomerization Rate Constant of 1,3,5-cis-Hexatriene in Alkane and Alcohol Solvents: A Molecular Dynamics Study
Author:
Affiliation:
1. Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109-1055, United States
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp5002644
Reference71 articles.
1. Control of 1,3-Cyclohexadiene Photoisomerization Using Light-Induced Conical Intersections
2. The Ultrafast Pathway of Photon-Induced Electrocyclic Ring-Opening Reactions: The Case of 1,3-Cyclohexadiene
3. Semiclassical dynamic simulation of photon induced ring-opening of cyclohexadiene to hexatriene
4. Ring opening reaction of 1,3-cyclohexadiene studied by semiclassical dynamics simulation
5. Spectral phase effects on nonlinear resonant photochemistry of 1,3-cyclohexadiene in solution
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1. Photochemistry of the 1,6-Dideuterio-1,3,5-hexatrienes in Solution: Efficient Terminal Bond Photoisomerization in One-Bond-Twist and Bicycle Pedal Ways;The Journal of Physical Chemistry A;2018-10-02
2. Nonadiabatic ab initio molecular dynamics with PME-ONIOM scheme of photoisomerization reaction between 1,3-cyclohexadiene and 1,3,5-cis-hexatriene in solution phase;Chemical Physics;2017-03
3. A biomimetic molecular switch at work: coupling photoisomerization dynamics to peptide structural rearrangement;Physical Chemistry Chemical Physics;2016
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