✦ LIBER ✦

A microscopic form of the extended kramers equation. A simple friction model for cis-trans isomerization reactions

✍ Scribed by S.-B. Zhu; J. Lee; G.W. Robinson; S.H. Lin

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 417 KB
Volume: 148
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(88)80293-8

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✦ Synopsis

A friction model for cis-trans isomerization is proposed. The friction is a linear combination of two limits, reflecting relative time scales of system and solvent motiohs. The resulting extended Kramers equation fits MD results exactly and is applicable to real isomerizing systems as well.