A study of the tautomeric equilibria of 2-hydroxypyridine/2-oxopyridine and of cytosine in water using the coupled reference interaction site model(RISM)/molecular dynamics (MD) approach

Journal of Physical Chemistry B

Volumn 108, Issue 49, 2004, Pages 19043-19048

  Freedman, Holly ^a   Nguyen, Hung N ^a   Truong, Thanh N ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

REFERENCE INTERACTION SITE MODEL (RISM); SOLVATION; TAUTOMERIC EQUILIBRIA; TAUTOMERIZATION;

COMPUTER SIMULATION; DATA REDUCTION; FREE ENERGY; HYDRATION; HYDROGEN BONDS; SOLVENT EXTRACTION; TRAJECTORIES;

MOLECULAR DYNAMICS;

EID: 10844264487     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp046453y     Document Type: Article

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