✦ LIBER ✦

SCF CI potential energy surfaces for the HCN α HCN isomerisation reaction

✍ Scribed by Gabriel J. Vazquez; Jean-François Gouyet

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 595 KB
Volume: 77
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)80136-4

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✦ Synopsis

We report X 'A' and 7 'A' potentml energ) surfaces for HCN Thermal lsomerlsatlon on the Found-state surface 1s dlscussed AII avolded crossmg between X 'A' and 2. k' suggests altematlve Isomerlsat!on mechamsms VW this exctted state The XtA'-7 'A' tnteractton may also allow the formatton of CN(X 'Z') m photodissocldtton of XCN molcculcs

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