Differential geometry based solvation model. III. Quantum formulation

Journal of Chemical Physics

Volumn 135, Issue 19, 2011, Pages

  Chen, Zhan ^a,c   Wei, Guo Wei ^a,b  

^a MICHIGAN STATE UNIVERSITY   (United States)

^b Michigan State University   (United States)

^c UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMOLECULAR SYSTEM; COUPLED EQUATION; DIFFERENTIAL GEOMETRY; ELECTRONIC KINETIC; ELECTROSTATIC ANALYSIS; ELECTROSTATIC POTENTIALS; EULER-LAGRANGE; EXPERIMENTAL DATA; FORCE FIELD MODELS; GOVERNING EQUATIONS; IMPLICIT SOLVENT MODEL; IMPLICIT SOLVENTS; ITERATIVE PROCEDURES; KOHN SHAM EQUATIONS; MOLECULAR MECHANICALS; MULTISCALE MODELS; MULTISCALES; NON-POLAR; PARAMETERIZED; PARTIAL CHARGES; POINT CHARGE; POISSON-BOLTZMANN EQUATIONS; QUANTUM MECHANICAL; QUANTUM MODELS; SOLVATION FREE ENERGIES; SOLVATION MODELS; SOLVATION PROCESS; TOTAL ENERGY FUNCTIONAL; TOTAL FREE ENERGY;

BOLTZMANN EQUATION; ELECTRONIC STRUCTURE; ELECTROSTATICS; EULER EQUATIONS; FREE ENERGY; LAPLACE EQUATION; POISSON EQUATION; QUANTUM THEORY; SOLVATION; SOLVENTS;

GEOMETRY;

ARTICLE; KINETICS; QUANTUM THEORY; SOLUBILITY;

KINETICS; QUANTUM THEORY; SOLUBILITY;

EID: 81855221339     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3660212     Document Type: Article

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