Thermodynamic and dielectric properties of aqueous solutions using ESIE charges to describe small solutes

Chemical Physics

Volumn 293, Issue 2, 2003, Pages 193-202

  Tolosa Arroyo, S ^a   Sanson Martin J A ^a   Hidalgo Garcia A ^a  

^a UNIVERSITY OF EXTREMADURA   (Spain)

Author keywords

Atomic charges; Molecular dynamics simulation; Molecular interactions; Solvation

Indexed keywords

FORMALDEHYDE; FORMAMIDE; WATER;

ARTICLE; ATOMIC PARTICLE; CALCULATION; ELECTRICITY; ELEMENTARY PARTICLE; ERROR; MATHEMATICAL ANALYSIS; REPRODUCIBILITY; SIMULATION; SOLUTE; THERMODYNAMICS;

EID: 84962339565     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(03)00313-6     Document Type: Article

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