✦ LIBER ✦

Semi-empirical potential energy surface for the binding of carbon monoxide to ferrous porphin

✍ Scribed by Kwok L. Yip; Donald R. Franceschetti

Publisher: Elsevier Science
Year: 1975
Tongue: English
Weight: 222 KB
Volume: 36
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(75)85342-5

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✦ Synopsis

Potrntial energy surfxcs were obtained in an estendcd IIi.ickel culculaGon for the lowest ' A1 und ' 82 states of the ferrous porphin-CO compiles. The relcv~nce of these surfaces to cspcrimental kinetic data is discussed.