A multiconfigurational perturbation theory study of the electronic structure and EPR g values of an oxomolybdenum enzyme model complex

Theoretical Chemistry Accounts

Volumn 124, Issue 3-4, 2009, Pages 251-259

  Vancoillie, Steven ^a   Pierloot, Kristine ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

Electronic structure; EPR; Molybdenum enzymes; Multiconfigurational methods

Indexed keywords

EID: 70350224122     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0605-1     Document Type: Article

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