Oxidation states, atomic charges and orbital populations in transition metal complexes

Theoretical Chemistry Accounts

Volumn 123, Issue 1-2, 2009, Pages 67-73

  Aullón, Gabriel ^a   Alvarez, Santiago ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

DFT calculations; Oxidation states; Pauling electroneutrality rule; Population analysis; Transition metals

Indexed keywords

EID: 67349203981     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0537-9     Document Type: Article

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