Ab initio study of the cooperativity between NH···N and NH···C hydrogen bonds in H3N-HNC-HNC complex

Theoretical Chemistry Accounts

Volumn 127, Issue 4, 2010, Pages 303-309

  Gong, Baoan ^a   Jing, Bo ^a   Li, Qingzhong ^a   Liu, Zhenbo ^a   Li, Wenzuo ^a   Cheng, Jianbo ^a   Zheng, Qingchuan ^a,b   Sun, Jiazhong ^a,b  

^a YANTAI UNIVERSITY   (China)

^b JILIN UNIVERSITY   (China)

Author keywords

Ab initio; Cooperativity; Energy decomposition; Hydrogen bond; Hydrogen isocyanide

Indexed keywords

EID: 77957962901     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0716-8     Document Type: Article

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