A semiempirical model for the two-center repulsion integrals in the NDDO approximation
- 1 January 1977
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 46 (2) , 89-104
- https://doi.org/10.1007/bf00548085
Abstract
No abstract availableKeywords
This publication has 20 references indexed in Scilit:
- Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO methodJournal of the American Chemical Society, 1975
- C-H acidity: comparative CNDO/2 and NDO calculations on the reactivity of azabenzenesChemical Physics Letters, 1974
- Molecular orbital calculations on carbonium ions. II. Methyl, ethyl, and vinyl cations. The series C3H7+Journal of the American Chemical Society, 1969
- Approximate Self-Consistent Molecular Orbital Theory. I. Invariant ProceduresThe Journal of Chemical Physics, 1965
- Three Remarks on Molecular Orbital Theory of Complex MoleculesThe Journal of Chemical Physics, 1960
- Electronic Structure and Spectra of Nitrogen HeterocyclesZeitschrift für Physikalische Chemie, 1957
- A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.The Journal of Chemical Physics, 1953
- A Study of Two-Center Integrals Useful in Calculations on Molecular Structure. IThe Journal of Chemical Physics, 1951
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951
- The molecular orbital theory of chemical valency VIII. A method of calculating ionization potentialsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1951