Ab Initio Studies on Acid−Base Equilibria of Substituted Phenols
- 16 October 2004
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 108 (46) , 10354-10358
- https://doi.org/10.1021/jp046990i
Abstract
No abstract availableThis publication has 13 references indexed in Scilit:
- Potentiometric investigation of acid dissociation and anionic homoconjugation equilibria of substituted phenols in dimethyl sulfoxideThe Journal of Chemical Thermodynamics, 2003
- Experimental and Theoretical Studies of Acid−Base Equilibria of Substituted 4-NitropyridineN-OxidesThe Journal of Physical Chemistry A, 2003
- A potentiometric study of acid–base properties of the (phenol+phenolate) systems in acetonitrile and, (acetonitrile+cyclohexane) solvent systemThe Journal of Chemical Thermodynamics, 2003
- Acid–base equilibria in systems involving substituted pyridines in polar aprotic protophobic media and in the amphiprotic methanolAnalytica Chimica Acta, 2000
- Acid–base and hydrogen-bonding equilibria in aliphatic amine and carboxylic acid systems in non-aqueous solutionsAnalytica Chimica Acta, 1999
- Ab Initio Study of Energetics of Protonation and Hydrogen Bonding of Pyridine N-Oxide and Its DerivativesThe Journal of Physical Chemistry A, 1999
- General atomic and molecular electronic structure systemJournal of Computational Chemistry, 1993
- Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effectsChemical Physics, 1981
- Theoretical models for acid-base equilibrium data in nonaqueous solventsThe Journal of Physical Chemistry, 1972
- Note on an Approximation Treatment for Many-Electron SystemsPhysical Review B, 1934