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Journal of the American Chemical Society

Volumn 123, Issue 30, 2001, Pages 7314-7319

Accurate pKa calculations for carboxylic acids using Complete Basis Set and Gaussian-n models combined with CPCM continuum solvation methods

(2) Liptak, M D a Shields, G C a

a HAMILTON COLLEGE (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ERRORS; FREE ENERGY; GASES;

COMPLETE BASIS SET; CPCM CONTINUUM SOLVATION METHODS;

CARBOXYLIC ACIDS;

CARBOXYLIC ACID DERIVATIVE;

ACCURACY; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL REACTION; ENERGY; PKA; SOLVATION;

EID: 84962359443 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja010534f Document Type: Article

Times cited : (533)

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