A coupled reference interaction site model/molecular dynamics study of the potential of mean force curve of the S N2 Cl - + CH 3Cl reaction in water

Journal of Physical Chemistry B

Volumn 109, Issue 10, 2005, Pages 4726-4730

  Freedman, Holly ^a   Truong, Thanh N ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BARRIER HEIGHT; KINETIC TRANSMISSION; POTENTIAL OF MEAN FORCE (PMF); REFERENCE INTERACTION SITE MODEL (RISM);

COST EFFECTIVENESS; DENSITY (SPECIFIC GRAVITY); FREE ENERGY; MOLECULAR DYNAMICS; OPTIMIZATION; SOLUTIONS; SUBSTITUTION REACTIONS;

REACTION KINETICS;

EID: 15944417430     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp044944c     Document Type: Article

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