A MP2(full) and CCSD(T) theoretical investigation on unusual cation-π interaction between OCB{triple bond, long}BCO and H+, Li+, Na+, Be2+ or Mg2+

Journal of Molecular Structure: THEOCHEM

Volumn 913, Issue 1-3, 2009, Pages 221-227

  Cao, Duan lin ^a   Ren, Fu de ^a   Liu, Sheng nan ^a   Chen, Shu sen ^b  

^a NORTH UNIVERSITY OF CHINA   (China)

^b BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

AIM; B triple bond, long B bond contraction; Cation interaction; Electron density shifts

Indexed keywords

EID: 70349308199     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.07.046     Document Type: Article

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