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Possible breakdown of the reaction coordinate concept in condensed-phase chemistry

โœ Scribed by S.-B. Zhu; G.W. Robinson


Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
587 KB
Volume
153
Category
Article
ISSN
0009-2614

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โœฆ Synopsis


In liquid-phase isomerization reactions, local departures from Maxwellian distributions appear to occur in different zones of the reaction coordinate chosen as dihedral angle connecting cis and trans forms. These deviations becomeappreciable for light masses and high barriers. The results partially reflect the fact that the reaction coordinate derived from isolated-molecule considerations is a poor representation of the solution-phase dynamics.


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