Theoretical study on the interlay of hydrogen bonds in the trimers involving HCN and water

International Journal of Quantum Chemistry

Volumn 109, Issue 6, 2009, Pages 1396-1402

  Li, Qingzhong ^a   Wang, Xilin ^a   Cheng, Jianbo ^a   Li, Wenzuo ^a   Gong, Baoan ^a   Sun, Jiazhong ^a,b  

^a YANTAI UNIVERSITY   (China)

^b JILIN UNIVERSITY   (China)

Author keywords

Cooperativity; Hydration; Hydrogen cyanide; Three body interaction; Twobody interaction

Indexed keywords

AB INITIO CALCULATIONS; C-H BOND; COOPERATIVITY; HYDROGEN CYANIDE; INTERACTION ENERGIES; MANY-BODY INTERACTIONS; QUANTUM CHEMICAL; TETRAMER; THEORETICAL STUDY; THREE-BODY INTERACTION; TOTAL INTERACTION ENERGY; TWOBODY INTERACTION;

ATOMS; BINDING ENERGY; BINDING SITES; COMPLEXATION; CYANIDES; HYDRATION; HYDROGEN;

HYDROGEN BONDS;

EID: 67049117490     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21958     Document Type: Article

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