Ab initio SCF and CI calculations on the barrier to internal rotation of 1,3-butadiene
- 1 January 1972
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 23 (4) , 346-359
- https://doi.org/10.1007/bf00526440
Abstract
No abstract availableKeywords
This publication has 23 references indexed in Scilit:
- Ab Initio SCF MO and CI Studies of the Electronic States of ButadieneThe Journal of Chemical Physics, 1968
- Zur Berechnung der Isomerisierungspotentiale konjugierter SystemeMonatshefte für Chemie / Chemical Monthly, 1963
- An investigation of the structure of butadiene by high resolution infra-red and raman spectroscopyTetrahedron, 1962
- An Electron Diffraction Reinvestigation of the Molecular Structure of 1,3-Butadiene.Acta Chemica Scandinavica, 1958
- Pi-Electron Structure of ButadieneThe Journal of Chemical Physics, 1957
- Ionization Potentials of Some MoleculesThe Journal of Chemical Physics, 1957
- LCAO Self-Consistent Field Calculation of the π-Electron Energy Levels of cis- and trans−1,3-ButadieneThe Journal of Chemical Physics, 1950
- Thermodynamic Properties of Gaseous 1,3-Butadiene and the Normal Butenes above 25°C Equilibria in the System 1,3-Butadiene, n-Butenes, and n-ButaneThe Journal of Chemical Physics, 1946
- The ionization potentials of butadieneTransactions of the Faraday Society, 1945
- The Electron Diffraction Investigation of the Structure of Benzene, Pyridine, Pyrazine, Butadiene-1,3, Cyclopentadiene, Furan, Pyrrole, and ThiopheneJournal of the American Chemical Society, 1939