Density functional theory study of 1:1 glycine-water complexes in the gas phase and in solution

Science China Chemistry

Volumn 53, Issue 2, 2010, Pages 383-395

  Ke, Hong Wei ^a   Rao, Li ^b   Xu, Xin ^b   Yan, Yi Jing ^a  

^a HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

^b XIAMEN UNIVERSITY   (China)

Author keywords

Glycine; Hydrogen bond; Solvent effect

Indexed keywords

AMINE GROUPS; CARBOXYLIC ACID GROUPS; COMPLEX GEOMETRIES; DFT METHOD; GASPHASE; HYDROGEN BOND STRENGTH; INTEGRAL EQUATION FORMALISMS; POLARIZABLE CONTINUUM MODEL; REFERENCE DATA; SOLUTION PHASE; SOLVENT EFFECTS; SYSTEMATIC STUDY; WATER COMPLEXES; WATER MOLECULE;

CARBOXYLIC ACIDS; COMPLEXATION; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS; ORGANIC ACIDS; SOLVENTS;

GASES;

EID: 77950924859     PISSN: 16747291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-010-0065-4     Document Type: Article

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