A hybrid semiempirical quantum mechanical and lattice-sum method for electrostatic interactions in fluid simulations

Journal of Chemical Physics

Volumn 107, Issue 4, 1997, Pages 1212-1217

  Gao, Jiali ^a   Alhambra, Cristobal ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHLORINE; COMPUTER SIMULATION; ELECTROSTATICS; FREE ENERGY; HYDRATION; IONS; MATHEMATICAL MODELS; MONTE CARLO METHODS; PERTURBATION TECHNIQUES;

BORN MODEL; CHLORIDE ION; EWALD LATTICE SUM METHOD; SOLVATION;

QUANTUM THEORY;

EID: 0031189219     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474465     Document Type: Article

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