Modeling temperature dependency of amine basicity using PCM and SM8T implicit solvation models

Journal of Physical Chemistry B

Volumn 116, Issue 6, 2012, Pages 1865-1875

  Gupta, Mayuri ^a   Da Silva, Eirik F ^b   Svendsen, Hallvard F ^a  

^a NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

^b SINTEF MATERIALS AND CHEMISTRY   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; CARBON DIOXIDE; DENSITY FUNCTIONAL THEORY;

ABSOLUTE VALUES; BASIS SETS; CONTINUUM SOLVATION MODELS; CORRECTION TERMS; DENSITY FUNCTIONALS; EXPERIMENTAL DATA; EXPERIMENTAL VALUES; FUNCTIONALS; GASEOUS PHASE; POST-COMBUSTION; SOLVATION MODELS; TEMPERATURE DEPENDENCIES; TEMPERATURE DEPENDENT; TEMPERATURE RANGE; TEMPERATURE REGIONS; TEMPERATURE TRENDS; THEORETICAL CALCULATIONS;

SOLVATION;

EID: 84962420334     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2116017     Document Type: Article

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