Extension of a temperature-dependent aqueous solvation model to compounds containing nitrogen, fluorine, chlorine, bromine, and sulfur

Journal of Physical Chemistry B

Volumn 112, Issue 10, 2008, Pages 3024-3039

  Chamberlin, Adam C ^a   Cramer, Christopher J ^a   Truhlar, Donald G ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BROMINE; CHLORINE; DATABASE SYSTEMS; DESCRIBING FUNCTIONS; ELECTROLYSIS; FLUORINE; FORECASTING; FREE ENERGY; FUNCTION EVALUATION; FUNCTIONAL GROUPS; NITROGEN; SULFUR; TELEMETERING SYSTEMS; TEMPERATURE; TEMPERATURE DISTRIBUTION;

(P ,P ,T) MEASUREMENTS; (SKEW) FREE ENERGY; AMERICAN CHEMICAL SOCIETY (ACS); AQUEOUS SOLVATION; DIE TEMPERATURE (DT); ELECTROSTATIC CONTRIBUTIONS; GENERALIZED BORN; ROOM-TEMPERATURE (RT); SHELL EFFECTS; SOLVATION MODELS; SURFACE AREA (SA); TEMPERATURE DEPENDENCES; TEMPERATURE DEPENDENT;

SOLVATION;

BROMINE DERIVATIVE; CHLORINE DERIVATIVE; FLUORINE DERIVATIVE; ION; NITROGEN DERIVATIVE; SULFUR; SULFUR DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; FACTUAL DATABASE; SOLUBILITY; TEMPERATURE;

BROMINE COMPOUNDS; CHLORINE COMPOUNDS; DATABASES, FACTUAL; FLUORINE COMPOUNDS; IONS; MODELS, CHEMICAL; NITROGEN COMPOUNDS; SOLUBILITY; SULFUR; SULFUR COMPOUNDS; TEMPERATURE;

EID: 42449088958     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp076682v     Document Type: Article

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