A self consistent field molecular orbital investigation of the importance of d orbital participation in the ground state of thiophene
- 1 January 1968
- journal article
- Published by Elsevier in Tetrahedron
- Vol. 24 (6), 2663-2679
- https://doi.org/10.1016/s0040-4020(01)82541-2
Abstract
No abstract availableThis publication has 35 references indexed in Scilit:
- The Effect of Including Non-Nearest Neighbor β Terms in Pariser-Parr-Pople Type Self-Consistent Molecular Orbital Calculations on π-Electron SystemsJournal of the American Chemical Society, 1967
- Bonding Contribution of Sulfur d Orbitals in Thiophene. An Extension of the Self-Consistent Field Molecular Orbital Method1Journal of the American Chemical Society, 1966
- SEMIEMPIRICAL SCF–LCAO–MO TREATMENT OF THIOPHENE, FURAN, AND PYRROLECanadian Journal of Chemistry, 1965
- A theoretical study of the UV spectra of dithienyls and thiopheneTetrahedron, 1964
- The electronic structure of oxygen and sulfur heterocyclesTetrahedron, 1963
- 955. d-Orbital contraction in chemical bondingJournal of the Chemical Society, 1956
- Chemical bonds involving d-orbitals. Part IJournal of the Chemical Society, 1954
- The electronic structure of thiophene and related moleculesTransactions of the Faraday Society, 1949
- 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
- Atomic Shielding ConstantsPhysical Review B, 1930