Ab initio calculation of the electronic coupling element in bimetallic model compounds [M-L-M]+, M = Be, Mg, Zn; L = O, S, -CH2-, -C≡C-; electron correlation effects and dependence on the bridge nature

Journal of Molecular Structure: THEOCHEM

Volumn 390, Issue 1-3, 1997, Pages 61-65

  Jimenez Calzado C ^a   Fernandez Sanz J ^a  

^a UNIVERSITY OF SEVILLE   (Spain)

Author keywords

Ab initio; Bimetallic compound; Electron correlation; Electron transfer

Indexed keywords

EID: 0041762809     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0166-1280(96)04760-4     Document Type: Article

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