Ab initio evaluation of the free energy surfaces for the general base/acid catalyzed thiolysis of formamide and the hydrolysis of methyl thiolformate: A reference solution reaction for studies of cysteine proteases

Journal of Physical Chemistry B

Volumn 105, Issue 19, 2001, Pages 4471-4484

  Ŝtrajbl, Marek ^a   Florián, Jan ^a   Warshel, Arieh ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ACYLATION; AMMONIA; CATALYSIS; FREE ENERGY; HYDROLYSIS; MATHEMATICAL MODELS; PHASE TRANSITIONS; QUANTUM THEORY;

CYSTEINE; FORMAMIDE; HISTIDINE; METHYL THIOLFORMATE; THIOMETHANOL;

ORGANIC COMPOUNDS;

EID: 84962407693     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp010279l     Document Type: Article

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