d-orbital participation in bonding in thiophene: Comparison of CNDO/2 and ab initio results
- 1 November 1981
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 85 (3-4) , 249-255
- https://doi.org/10.1016/0166-1280(81)85023-3
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- Classical chemical bonds and localised molecular orbitalsJournal of Molecular Structure, 1979
- Classical chemical bonds and localised molecular orbitalsJournal of Molecular Structure, 1979
- Transferability of some properties of localized molecular orbitalsTheoretical Chemistry Accounts, 1979
- Bond orbital models. Part 1.—Atomic charges from a fully localized SCF methodJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1979
- Self-consistent molecular orbital methods. XVII. Geometries and binding energies of second-row molecules. A comparison of three basis setsThe Journal of Chemical Physics, 1976
- Density localization of atomic and molecular orbitalsTheoretical Chemistry Accounts, 1973
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969
- Localized Atomic and Molecular OrbitalsReviews of Modern Physics, 1963
- The crystal and molecular structure of α-thiophene- and α-selenophene-carboxylic acidsActa Crystallographica, 1962
- Microwave spectra of deuterated furans. Structure of the furan moleculeDiscussions of the Faraday Society, 1955