Molecular orbital interpretation of the metal-metal multiple bonding in coaxial dibenzene dimetal compounds of Iron, manganese, and chromium

Theoretical Chemistry Accounts

Volumn 133, Issue 4, 2014, Pages 1-10

  Wang, Hui ^a   Die, Dong ^b   Wang, Hongyan ^a   Xie, Yaoming ^c   King, R Bruce ^c   Schaefer, Henry F ^c  

^a SOUTHWEST JIAOTONG UNIVERSITY   (China)

^b XIHUA UNIVERSITY   (China)

^c UNIVERSITY OF GEORGIA   (United States)

Author keywords

Density functional theory; Dibenzene dimetal compounds; Metal metal multiple bonding; Molecular orbitals

Indexed keywords

EID: 84897665561     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-014-1459-8     Document Type: Article

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