A theoretical study of some X-H⋯π hydrogen-bonded complexes using the theory of atoms in molecules

Canadian Journal of Chemistry

Volumn 74, Issue 6, 1996, Pages 1162-1170

  Tang, Ting Hua ^a,b   Cui, Yun Ping ^b,c  

^a MCMASTER UNIVERSITY   (Canada)

^b TIANJIN NORMAL UNIVERSITY   (China)

^c UNIVERSITY OF WATERLOO   (Canada)

Author keywords

2 butyne; Ab initio calculation; Hydrogen bonding; Topological analysis of electron density; Vinyl acetylene

Indexed keywords

ATOMS; CALCULATIONS; CARRIER CONCENTRATION; CHEMICAL BONDS; HALOGEN COMPOUNDS; INTEGRATION; MOLECULAR DYNAMICS; MOLECULES; OLEFINS; TOPOLOGY;

BUTYNE; HYDROGEN BOND STABILIZATION ENERGY; THEORY OF ATOMS IN MOLECULES; VINYL ACETYLENE;

HYDROGEN BONDS;

EID: 0030169271     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v96-130     Document Type: Article

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