Ab Initio Molecular Dynamics Study of Formate Ion Hydration

Journal of the American Chemical Society

Volumn 126, Issue 1, 2004, Pages 344-351

  Leung, Kevin ^a   Rempe, Susan B ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDRATION; OXYGEN; QUANTUM THEORY;

MOLECULAR MECHANICS;

MOLECULAR DYNAMICS;

FORMIC ACID; OXYGEN; WATER;

AB INITIO CALCULATION; AQUEOUS SOLUTION; ARTICLE; CORRELATION ANALYSIS; CORRELATION FUNCTION; HYDRATION; MOLECULAR DYNAMICS; QUANTUM MECHANICS; SOLVATION;

EID: 0347720653     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja036267q     Document Type: Article

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