Conformational structure of ethylbenzene and its correlation with semi-empirical mo-lcao calculations
- 30 June 1972
- journal article
- Published by Elsevier in Journal of Molecular Structure
- Vol. 12 (3) , 367-372
- https://doi.org/10.1016/0022-2860(72)87045-5
Abstract
No abstract availableThis publication has 17 references indexed in Scilit:
- Conformational structure and vibrational and NMR spectra of simple mono-alkylbenzenesJournal of Molecular Structure, 1972
- Study of the Electronic Structure of Molecules. XIII. Bond Energy Analysis for the Ethane MoleculeThe Journal of Chemical Physics, 1971
- Ground states of .sigma.-bonded molecules. XI. Conformational analyses by MINDO/2 methodJournal of the American Chemical Society, 1970
- Ground states of .sigma.-bonded molecules. IX. MINDO [modified intermediate neglect of differential overlap]/2 methodJournal of the American Chemical Society, 1970
- Ground States of σ-Bonded Molecules. IV. The MINDO Method and Its Application to HydrocarbonsThe Journal of Chemical Physics, 1969
- Semiempirical calculation of conformational structure of 2,4-disubstituted pentanesCollection of Czechoslovak Chemical Communications, 1968
- Approximateab initiocalculations on polyatomic moleculesMolecular Physics, 1967
- An Extended Hückel Theory. I. HydrocarbonsThe Journal of Chemical Physics, 1963
- Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational InteractionPhysical Review B, 1955
- Quantum Theory of Many-Particle Systems. II. Study of the Ordinary Hartree-Fock ApproximationPhysical Review B, 1955