An ab initio molecular dynamics study on the solvation of formate ion and formic acid in water

Journal of Theoretical and Computational Chemistry

Volumn 11, Issue 5, 2012, Pages 1019-1032

  Chen, Qiubo ^a,b   Liu, Zhifeng ^a   Wong, Chee How ^b  

^a CHINESE UNIVERSITY OF HONG KONG   (Hong Kong)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

Ab initio molecular dynamics; formic acid; free energy; solvation

Indexed keywords

EID: 84868676243     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S021963361250068X     Document Type: Article

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