A new type of semi-empirical molecular orbital method for large molecules
- 1 March 1979
- journal article
- research article
- Published by Elsevier in Journal of Theoretical Biology
- Vol. 77 (1) , 129-139
- https://doi.org/10.1016/0022-5193(79)90143-7
Abstract
No abstract availableThis publication has 8 references indexed in Scilit:
- The Electronic Structure and Homolytic Dissociation of Dibenzoyl PeroxideBulletin of the Chemical Society of Japan, 1978
- A Semi-empirical NDDO Method for All-valence-electron Systems. I. HydrocarbonsBulletin of the Chemical Society of Japan, 1977
- Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO methodJournal of the American Chemical Society, 1975
- Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential OverlapThe Journal of Chemical Physics, 1967
- Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 SystemsThe Journal of Chemical Physics, 1966
- The evaluation of the one-centre integrals in the semi-empirical molecular orbital theoryMolecular Physics, 1966
- Approximate Self-Consistent Molecular Orbital Theory. I. Invariant ProceduresThe Journal of Chemical Physics, 1965
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951