Structural and optical properties of a neutral Nickel bisdithiolene complex: Density functional versus ab initio methods

Theoretical Chemistry Accounts

Volumn 126, Issue 3, 2010, Pages 243-255

  Alary, Fabienne ^a   Heully, Jean Louis ^a   Scemama, Anthony ^a   Garreau de Bonneval, Bénédicte ^b   Chane Ching, Kathleen I ^b   Caffarel, Michel ^a  

^a CNRS   (France)

^b LCC LABORATOIRE DE CHIMIE DE COORDINATION   (France)

Author keywords

Ab initio methods; Biradical character; DFT; EPLF; Nickel bisdithiolene

Indexed keywords

EID: 77953479214     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0679-9     Document Type: Article

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