Variable atomic radii for continuum-solvent electrostatics calculation

Journal of Chemical Physics

Volumn 129, Issue 1, 2008, Pages

  Zhou, Baojing ^a   Agarwal, Manish ^a   Wong, Chung F ^a  

^a UNIVERSITY OF MISSOURI ST LOUIS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ATOMS; BEAM QUALITY; CALCULATIONS; CARRIER CONCENTRATION; DIPOLE MOMENT; DISSOCIATION; ELECTRON DENSITY MEASUREMENT; ELECTRONS; ELECTROSTATICS; FLUIDS; FUNCTIONS; GAUSSIAN DISTRIBUTION; MODAL ANALYSIS; MOLECULES; OPTICAL PROPERTIES; SET THEORY; SOLVENTS; SURFACE POTENTIAL; TRELLIS CODES;

(PL) PROPERTIES; AB INITIO QUANTUM CALCULATIONS; ADJUSTABLE PARAMETERS; AMERICAN INSTITUTE OF PHYSICS (AIP); ATOMIC RADIUS; BOLTZMANN; CHEMICAL ENVIRONMENTS; CUT OFF VALUES; ELECTRON DENSITIES; FINITE SETS; FUTURE DIRECTIONS; GAUSSIAN FUNCTIONS; MOLECULAR SURFACES; NEUTRAL MOLECULE (NM); NEW MODEL; SOLVATION ENERGIES; SPHERE MODEL; SPHERICAL(PIVOT); TRAINING SETS;

CHEMICAL ELEMENTS;

SOLVENT;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRICITY; THERMODYNAMICS;

COMPUTER SIMULATION; ELECTROSTATICS; MODELS, MOLECULAR; SOLVENTS; THERMODYNAMICS;

EID: 46749109623     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2949821     Document Type: Article

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