Theoretical study for the basicities of methylamines in aqueous solution: A RISM-SCF calculation of solvation thermodynamics
- 1 February 1996
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 203 (1), 53-67
- https://doi.org/10.1016/0301-0104(95)00352-5
Abstract
No abstract availableKeywords
Funding Information
- Ministry of Education, Culture, Sports, Science and Technology
This publication has 41 references indexed in Scilit:
- Solvation Free Energies of Small Amides and Amines from Molecular Dynamics/Free Energy Perturbation Simulations Using Pairwise Additive and Many-Body Polarizable PotentialsThe Journal of Physical Chemistry, 1995
- Molecular conformational equilibria in liquidsThe Journal of Chemical Physics, 1986
- Relative proton affinities of methyl-substituted amines. Dependence on basis setThe Journal of Physical Chemistry, 1981
- The proton affinity of ammonia. A theoretical determinationThe Journal of Physical Chemistry, 1980
- Solvent effects of water and fluorosulfuric acid on proton transfer equilibriums and the energies of solvation of gaseous onium ionsJournal of the American Chemical Society, 1978
- A thermodynamic analysis of solvation effects on the basicities of alkylamines. An electrostatic analysis of substituent effectsJournal of the American Chemical Society, 1976
- Quantitative proton affinities, ionization potentials, and hydrogen affinities of alkylaminesJournal of the American Chemical Society, 1976
- Proton Affinities and the Methyl Inductive Effect1Journal of the American Chemical Society, 1965
- Acid-Base Studies in Gaseous Systems. II. The Anomalous Base Strength of the Methylamines; A New Manifestation of Steric Strain1,2Journal of the American Chemical Society, 1944
- Electric Moments of Molecules in LiquidsJournal of the American Chemical Society, 1936