Pi Electronic Structure of the Benzene Molecule
- 15 September 1963
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 39 (6) , 1557-1560
- https://doi.org/10.1063/1.1734479
Abstract
A configuration‐interaction calculation in a molecular orbital basis has been performed for the benzene molecule. The Goeppert‐Mayer and Sklar core approximation has been assumed. All three‐ and four‐center integrals have been accurately computed.Keywords
This publication has 14 references indexed in Scilit:
- A REFINED ALTERNANT MOLECULAR ORBITAL TREATMENT OF THE GROUND STATE OF BENZENEThe Journal of Physical Chemistry, 1962
- Studies on the Alternant Molecular Orbital Method. I. General Energy Expression for an Alternant System with Closed-Shell StructureThe Journal of Chemical Physics, 1962
- The Scale Parameters in Non-empirical Molecular-orbital Calculations on - SystemsProceedings of the Physical Society, 1960
- Erratum: On the Pi-Electron Approximation and Its Possible RefinementThe Journal of Chemical Physics, 1956
- The valence-bond theory of molecular structure II. Reformulation of the theoryProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1954
- σπ Interaction in BenzeneJournal of the Physics Society Japan, 1953
- The evaluation of integrals occurring in the theory of molecular structure. Parts I & IIPhilosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1951
- Molecular Orbital Calculations of the Lower Excited Electronic Levels of Benzene, Configuration Interaction IncludedThe Journal of Chemical Physics, 1950
- Calculations of the Lower Excited Levels of BenzeneThe Journal of Chemical Physics, 1949
- Calculations of the Lower Excited Levels of BenzeneThe Journal of Chemical Physics, 1938