Experimentation with different thermodynamic cycles used for pK_a calculations on carboxylic acids using complete basis set and gaussian-n models combined with CPCM continuum solvation methods

Authors

Matthew D. Liptak
George C. Shields, Furman UniversityFollow

ACS Citation

Liptak, M. D.; Shields, G. C. Experimentation with Different Thermodynamic Cycles Used for pK_a Calculations on Carboxylic Acids Using Complete Basis Set and Gaussian-N Models Combined with CPCM Continuum Solvation Methods. Int. J. Quantum Chem. 2001, 85 (6, SI), 727-€“741.

Version of Record

10.1002/qua.20686

Abstract

41st Annual Sanibel Symposium, ST AUGUSTINE, FLORIDA, FEB 24-MAR 02, 2001

Source Name

International Journal of Quantum Chemistry

Publication Date

2001

Volume

85

Issue

6

Page(s)

dec

Document Type

Citation

Citation Type

Article