The prominent enhancing effect and mechanism of the methyl group in the XY (X=O, S, H3CO, H3CS, (H3C)2O, (H3C)2S; Y=HCN, HNC) hydrogen-bonded complex

Molecular Physics

Volumn 109, Issue 6, 2011, Pages 831-838

  Jing, Bo ^a   Li, Qing Zhong ^a   Gong, Bao An ^a   Liu, Zhen Bo ^a   Li, Wen Zuo ^a   Cheng, Jian Bo ^a   Sun, Jia Zhong ^a  

^a YANTAI UNIVERSITY   (China)

Author keywords

enhancing effect; hydrogen bond; mechanism; methyl group; NBO

Indexed keywords

AB INITIO; CHARGE TRANSFER INTERACTION; COMPUTATIONAL STUDIES; ELECTRON DONORS; ELECTROSTATIC INTERACTIONS; ENHANCING EFFECT; FREQUENCY SHIFT; HCN COMPLEXES; HYDROGEN-BONDED COMPLEXES; INTERACTION ENERGIES; METHYL GROUP; NATURAL BOND ORBITAL; NBO;

CHARGE TRANSFER; COMPLEXATION; FUNCTIONAL GROUPS; HYDROGEN;

HYDROGEN BONDS;

EID: 79952996005     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2011.554899     Document Type: Article

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