Theoretical study of the 15- and 17-electron structures of cyclopentadienylchromium(III) and cyclopentadienylmolybdenum(III) complexes. Dichloride and dimethyl compounds

Journal of Physical Chemistry A

Volumn 101, Issue 50, 1997, Pages 9801-9812

  Cacelli, Ivo ^a   Keogh, D Webster ^b,e   Poli, Rinaldo ^c   Rizzo, Antonio ^d  

^a SCUOLA NORMALE SUPERIORE   (Italy)

^b UNIVERSITY OF MARYLAND   (United States)

^c UNIVERSITÉ DE BOURGOGNE   (France)

^d CNR   (Italy)

^e LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CHROMIUM COMPOUNDS; DISSOCIATION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; MOLYBDENUM COMPOUNDS;

CYCLOPENTADIENYLCHROMIUM; CYCLOPENTADIENYLMOLYBDENUM; DENSITY FUNCTIONAL THEORY; MOLLER PLESSET SECOND ORDER THEORY; SPIN DOUBLET SURFACE;

ORGANOMETALLICS;

EID: 0031361832     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972920i     Document Type: Article

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