Block-localized wavefunction energy decomposition (BLW-ED) analysis of σ/π interactions in metal-carbonyl bonding

Journal of Theoretical and Computational Chemistry

Volumn 7, Issue 4, 2008, Pages 639-654

  Nakashima, Kazuhito ^a   Zhang, Xin ^a,b   Xiang, Mingli ^a,c   Lin, Yuchun ^a   Lin, Menghai ^b   Mo, Yirong ^a,b  

^a WESTERN MICHIGAN UNIVERSITY   (United States)

^b XIAMEN UNIVERSITY   (China)

^c SICHUAN UNIVERSITY   (China)

Author keywords

back donation; donation; Block localized wavefunction (BLW); Energy decomposition; Metal carbonyl

Indexed keywords

EID: 51549093365     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633608004027     Document Type: Article

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