Ab initio molecular orbital calculations on thirene: The thermodynamic stability of five C2H2S isomers
- 15 January 1978
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 53 (2) , 211-214
- https://doi.org/10.1016/0009-2614(78)85381-0
Abstract
No abstract availableThis publication has 14 references indexed in Scilit:
- A methodology for the preparation and characterization of three-membered, potentially antiaromatic molecules. Preparation of matrix-isolated thiirene and selenireneJournal of the American Chemical Society, 1977
- Mechanism of the Wolff rearrangement. 6. Ab initio molecular orbital calculations on the thermodynamic and kinetic stability of the oxirene moleculeJournal of the American Chemical Society, 1976
- Matrix photolysis of 1,2,3-thiadiazole. Possible involvement of thiireneJournal of the American Chemical Society, 1974
- A quantum chemical study on the relative thermodynamic stabilities of the two isomeric species of C2H3S+Journal of the Chemical Society, Perkin Transactions 2, 1974
- AntiaromaticityAccounts of Chemical Research, 1973
- A MINDO/3 and NDDO study of antiaromatic three-membered rings and their valence tautomersJournal of the Chemical Society, Chemical Communications, 1973
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969
- Non empirical LCAO-MO-SCF calculations with gaussian type functions on some three membered ring heterocyclesTheoretical Chemistry Accounts, 1969
- Antiaromaticity of cyclopropenyl anionsJournal of the American Chemical Society, 1967
- Aromatic CharacterChemical & Engineering News, 1965