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Volumn 41, Issue 1, 2002, Pages 152-156

Can semiempirical quantum mechanics be used to predict the spin state of transition metal complexes? An application of de novo prediction

(5) Ball, David M a Buda, Corneliu a Gillespie, Aaron M a,b White, David P a Cundari, Thomas R a,b

a University of Memphis (United States)

b UNIVERSITY OF NORTH CAROLINA WILMINGTON (United States)

Author keywords

[No Author keywords available]

Indexed keywords

METAL;

ARTICLE; CHEMICAL INTERACTION; COMPLEX FORMATION; GEOMETRY; QUANTUM MECHANICS;

EID: 0037074162 PISSN: 00201669 EISSN: None Source Type: Journal
DOI: 10.1021/ic0108437 Document Type: Article

Times cited : (29)

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