Description of functional groups by means of domain-restricted reduced density matrices

Theoretical Chemistry Accounts

Volumn 118, Issue 5-6, 2007, Pages 827-835

  Alcoba, Diego R ^a   Torre, Alicia ^b   Bochicchio, Roberto C ^a   Lain, Luis ^b  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

Atoms in molecules; Electron population; Reduced density matrices

Indexed keywords

EID: 36448992993     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-007-0332-4     Document Type: Article

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