Thermochemical data from ab initio calculations. I. Estimation of SCF energies for augmented basis sets and Hartree–Fock limit energies
- 1 June 1982
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 3 (2) , 154-164
- https://doi.org/10.1002/jcc.540030206
Abstract
No abstract availableKeywords
This publication has 33 references indexed in Scilit:
- Simple procedure for estimating the Hartree-Fock-limit energies of moleculesThe Journal of Chemical Physics, 1974
- Properties of the benzene molecule near the Hartree-Fock limitThe Journal of Chemical Physics, 1973
- Barriers to the internal rotation and observables of the ground state for hydrogen peroxydeTheoretical Chemistry Accounts, 1972
- Molecular orbital theory of the electronic structure of organic compounds. VIII. Geometries, energies, and polarities of C3 hydrocarbonsJournal of the American Chemical Society, 1971
- Rotational Barriers in Hydrogen PeroxideThe Journal of Chemical Physics, 1971
- Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole momentsJournal of the American Chemical Society, 1967
- Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular IonsThe Journal of Chemical Physics, 1966
- Molecular Binding EnergiesJournal of the American Chemical Society, 1966
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951
- Note on an Approximation Treatment for Many-Electron SystemsPhysical Review B, 1934