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A CAS SCF CCI study of the lowest excited states of HMn(CO)5 and Fe(CO)5

✍ Scribed by Alain Veillard; Alain Strich; Chantal Daniel; Per E.M. Siegbahn

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
430 KB
Volume
141
Category
Article
ISSN
0009-2614

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✦ Synopsis

Contracted CI calculations, based on CAS SCF reference wavefunctions, are reported for the lowest excited states of HMn(CO), and Fe(C0) 5. The results are used to discuss the photochemical reactions of these organometallics.

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