Ab Initio Study on the Substituent Effect in the Transition State of Keto−Enol Tautomerism of Acetyl Derivatives
- 1 January 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 100 (2) , 594-600
- https://doi.org/10.1021/jp951647m
Abstract
No abstract availableKeywords
This publication has 35 references indexed in Scilit:
- Keto-enol tautomeric equilibrium of acetylacetone in trifluoromethane near the critical temperatureThe Journal of Chemical Physics, 1991
- A survey of Hammett substituent constants and resonance and field parametersChemical Reviews, 1991
- Alkyl- and silyl-substituent effects on keto-enol equilibria and the structures of simple aliphatic enols. A theoretical ab initio studyJournal of the American Chemical Society, 1990
- Structure of vinyl alcohol: a resolution of the discrepancy between theory and experimentJournal of the American Chemical Society, 1990
- Resonance interactions in acyclic systems. 1. Energies and charge distributions in allyl anions and related compoundsJournal of the American Chemical Society, 1990
- Ethynol: a theoretical prediction of remarkably high gas-phase acidityJournal of the American Chemical Society, 1989
- Intermolecular interactions from a natural bond orbital, donor-acceptor viewpointChemical Reviews, 1988
- Photochemical processes on chloromethyl formate and vinyl formate in low-temperature matrices: infrared spectra and ab initio calculations on chloromethanol and vinyl alcoholThe Journal of Physical Chemistry, 1988
- The Carbon–Nitrogen Triad Prototropic TautomerismRussian Chemical Reviews, 1979
- Note on an Approximation Treatment for Many-Electron SystemsPhysical Review B, 1934