More reliable partial atomic charges when using diffuse basis sets

PhysChemComm

Volumn 5, Issue , 2002, Pages 117-134

  Thompson, Jason D ^a   Xidos, James D ^a   Sonbuchner, Timothy M ^a   Cramer, Christopher J ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BROMINE; CARBON; CHLORINE; FLUORINE; HYDROGEN; LITHIUM; NITROGEN; OXYGEN; PHOSPHORUS; SILICON; SULFUR;

ANALYTIC METHOD; ARTICLE; ATOM; DIPOLE; ELECTRON; ERROR; MATHEMATICAL ANALYSIS; PARAMETER; QUALITATIVE ANALYSIS; RELIABILITY; SENSITIVITY ANALYSIS;

EID: 0000665686     PISSN: 14602733     EISSN: None     Source Type: Journal    
DOI: 10.1039/b206369g     Document Type: Article

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