Quantifying free energy profiles of proton transfer reactions in solution and proteins by using a diabatic FDFT mapping

Journal of Physical Chemistry B

Volumn 112, Issue 3, 2008, Pages 1007-1015

  Xiang, Yun ^a   Warshel, Arieh ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMAL MAPPING; DENSITY FUNCTIONAL THEORY; PROTEINS; REACTION KINETICS;

EXTENSIVE COMPUTER TIME; FROZEN DENSITY FUNCTIONAL (FDFT);

PROTON TRANSFER;

EID: 38949210653     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp076931f     Document Type: Article

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