Application of the ABEEM/MM model in studying the properties of the water clusters (H2O) n (n=7-10)

Science in China, Series B: Chemistry

Volumn 50, Issue 2, 2007, Pages 190-204

  Qian, Ping ^a   Yang, Zhongzhi ^a  

^a LIAONING NORMAL UNIVERSITY   (China)

Author keywords

ABEEM MM model; Molecular mechanics; The atom bond electronegativity equalization method; Water clusters

Indexed keywords

CHARGE DISTRIBUTION; ELECTRIC DIPOLE MOMENTS; ELECTRONEGATIVITY; GEOMETRY; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR MECHANICS; OPTIMIZATION;

CLUSTER INTERACTION ENERGIES; HEXAMERS; STRUCTURAL PARAMETERS; WATER CLUSTERS;

WATER;

EID: 34547232668     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-007-0003-2     Document Type: Article

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