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Volumn 26, Issue 20, 1987, Pages 3278-3284

Coordination Mode and Bonding Nature of Carbon Dioxide in d8[Co(alcn)2(CO2)-(alcn = HNCHCHCHO-): An ab Initio MO Study

(2)  Dedieu, A a   Sakaki, S a  

a CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000565461     PISSN: 00201669     EISSN: 1520510X     Source Type: Journal    
DOI: 10.1021/ic00267a013     Document Type: Article
Times cited : (53)

References (29)
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    • The original (13s 7p 5d) set was modified by adding an s primitive (ξ = 0.3572), two p primitives (ξ = 0.2728, 0.0886), and a d primitive (ξ = 0.1173), where these exponents were estimated from the even-tempered criterion.
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    • This idea has been proposed in the following papers: Bagus, P. S.; Herman, K.; Bauschlicher, C. W. J. Chem. Phys. 1984, 80, 4378; 1984, 81, 1966. Bausch C. W.; Bagus, P. S. J. Chem. Phys. 1984, 81, 5889.
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