Application of the linearized MD approach for computing equilibrium solvation free energies of charged and dipolar solutes in polar solvents

Journal of Physical Chemistry B

Volumn 106, Issue 50, 2002, Pages 13078-13088

  Vener, M V ^a   Leontyev, I V ^a   Dyakov, Yu A ^a   Basilevsky, M V ^a   Newton, M D ^b  

^a KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

^b BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; ELECTRIC FIELDS; ELECTROSTATICS; FREE ENERGY; NEGATIVE IONS; POSITIVE IONS; SOLVENTS; WATER;

POLAR SOLVENTS;

MOLECULAR DYNAMICS;

EID: 0037137644     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp021396z     Document Type: Article

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