Accurate pKa determinations for some organic acids using an extended cluster method

Chemical Physics Letters

Volumn 439, Issue 4-6, 2007, Pages 374-380

  Jia, Zhao kun ^a   Du, Dong mei ^a   Zhou, Zheng yu ^a   Zhang, An guo ^a   Hou, Rui yan ^a  

^a QUFU NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS;

EXTENDED CLUSTER METHOD; POLARIZABLE CONTINUUM SOLVATION MODEL (PCM); WATER MOLECULES;

ORGANIC ACIDS;

EID: 34247512594     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.03.092     Document Type: Article

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