Solvent Effect on Acidity: A Hybrid Approach Based on the RISM and the Hartree−Fock Equations
- 1 January 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 100 (4) , 1111-1117
- https://doi.org/10.1021/jp952102v
Abstract
No abstract availableKeywords
This publication has 31 references indexed in Scilit:
- Irregular Order in Basicities of Methylamines in Aqueous Solution: A RISM-SCF StudyJournal of the American Chemical Society, 1995
- The anomalous gas-phase acidity of formic acid. Importance of initial-state polarizationJournal of the American Chemical Society, 1992
- A theoretical study of solvation energies of FCH2COO−, FCH2COOH, and F2CHCOO−Journal of Computational Chemistry, 1989
- Theoretical investigation of the thermal ring opening of bicyclobutane to butadiene. Evidence for a nonsynchronous processJournal of the American Chemical Society, 1988
- Methyl substituent effects in the gas-phase acidities of halosubstituted oxygen acids. A realignment with substituent effects in solutionJournal of the American Chemical Society, 1985
- Molecular orbital treatment of substituent effects. II. Structures of some carboxylic Acids and their conjugate basesCanadian Journal of Chemistry, 1984
- Aqueous vs. gas-phase acidities of the haloacetic acids. Enthalpies of hydration of haloacetic acids and haloacetate ionsJournal of the American Chemical Society, 1976
- Effects of halogen substituents on the intrinsic acidity of acetic acids determined by measurements of gas-phase ion equilibriumsJournal of the American Chemical Society, 1973
- Intrinsic acidities of carboxylic acids from gas-phase acid equilibriumsJournal of the American Chemical Society, 1973
- Gas-phase acidities of carbon acidsJournal of the American Chemical Society, 1968