First principles study on the solvation and structure of C 2O42- (H2O)n, n = 6-12

Journal of Physical Chemistry A

Volumn 109, Issue 40, 2005, Pages 9104-9111

  Gao, Bing ^a   Liu, Zhi Feng ^a  

^a CHINESE UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPLEXATION; ISOMERS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION;

CLUSTERS; DENSITY FUNCTIONAL THEORY; OXALATE; SOLVATION ENERGY;

MOLECULAR STRUCTURE;

CARBON; OXALIC ACID DERIVATIVE; SOLVENT; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; ISOMERISM; SOLUBILITY;

CARBON; ELECTRONS; ISOMERISM; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OXALATES; SOLUBILITY; SOLVENTS; WATER;

EID: 27144502059     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp052968t     Document Type: Article

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