First-Principles Determination of the Absolute Hydration Free Energy of the Hydroxide Ion
- 4 June 2002
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 106 (42) , 9737-9744
- https://doi.org/10.1021/jp014533l
Abstract
No abstract availableKeywords
This publication has 73 references indexed in Scilit:
- Comment on “Reaction field treatment of charge penetration” [J. Chem. Phys. 112, 5558 (2000)]The Journal of Chemical Physics, 2001
- Energy Barriers for Alkaline Hydrolysis of Carboxylic Acid Esters in Aqueous Solution by Reaction Field CalculationsThe Journal of Physical Chemistry A, 2000
- Reaction Pathways and Energy Barriers for Alkaline Hydrolysis of Carboxylic Acid Esters in Water Studied by a Hybrid Supermolecule-Polarizable Continuum ApproachJournal of the American Chemical Society, 2000
- Reaction field effects on nitrogen shieldingThe Journal of Chemical Physics, 1999
- Cavity size in reaction field theoryThe Journal of Chemical Physics, 1998
- The Structure of the Potassium Channel: Molecular Basis of K + Conduction and SelectivityScience, 1998
- Structural Conservation in Prokaryotic and Eukaryotic Potassium ChannelsScience, 1998
- Charge penetration in dielectric models of solvationThe Journal of Chemical Physics, 1997
- Small Clusters of Water Molecules Using Density Functional TheoryThe Journal of Physical Chemistry, 1996
- Structures and vibrational spectra of water clusters in the self-consistent-field approximationThe Journal of Chemical Physics, 1992