✦ LIBER ✦

A molecular mechanics force field for rhodium(I) carbonyl phosphine complexes and its application on the oxidative addition reactions of these complexes

✍ Scribed by Lamprecht, Delanie; Lamprecht, Gert J.

Publisher: John Wiley and Sons
Year: 2000
Tongue: English
Weight: 280 KB
Volume: 21
Category: Article
ISSN: 0192-8651
DOI: 10.1002/(sici)1096-987x(200006)21:8<692::aid-jcc8>3.0.co;2-i

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✦ Synopsis

The main purpose of the development of an Rh(I) Carbonyl Phosphine force field was to predict the molecular structure of Rh(I) complexes as well as to compute possible intermediates or transition states during the oxidative addition of CH 3 I to these complexes.