Semiempirical and ab initio Calculations on the Tautomerism of Pyrazolin-5-ones in the Gas Phase and in Solution
- 1 January 1982
- journal article
- research article
- Published by Wiley in Journal für Praktische Chemie
- Vol. 324 (5) , 827-831
- https://doi.org/10.1002/prac.19823240517
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- Theoretical description of solvent effects. V. The medium influence on the lactim‐lactam tautomerism of hydroxyazinesJournal für Praktische Chemie, 1982
- MNDO-Berechnungen der Nullpunktsenergien und der temperaturabhängigen Beiträge zur Freien Reaktionsenthalpie von ProtonenübertragungsreaktionenZeitschrift für Chemie, 1980
- Problems concerning the theoretical treatment of tautomeric equilibria of hetrocyclesChemical Physics Letters, 1980
- Theoretical investigations on carbocations. Structure and stability of C3H5+,C4H9+(2-butyl cation), C5H5+,C6H7+(protonated benzene), and C7H11+(2-norbornyl cation)Journal of the American Chemical Society, 1979
- Ab initio calculations including electron correlation, and mindo/3 calculations on the system C2H+7Chemical Physics Letters, 1978
- Quantum chemical calculations for the determination of the molecular structure of conjugated compoundsJournal of Molecular Structure, 1978
- Influence of solvents on the properties of chemical compoundsTheoretical Chemistry Accounts, 1976
- Etude par des methodes semi-empiriques de la chimie theorique dans la serie des pyrazolones—VIITetrahedron, 1974
- Etude par des methodes semi-empiriques de la chimie theorique dans la serie des pyrazolinonesTetrahedron, 1974
- Etude par des methodes semi-empiriques de la chimie theorique dans la serie des pyrazolone—ITetrahedron, 1971