Correlation effects on hydrogen-bond potentials. SCF Cl calculations for the systems HF−2 and H3O−2
- 31 May 1975
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 8 (3) , 405-411
- https://doi.org/10.1016/0301-0104(75)80151-0
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- Correlation effects on energy curves for proton transfer. The cation [H5O2]+Chemical Physics Letters, 1973
- Study of the Electronic Structure of Molecules. XVII. Analysis of the Formation of the Acetylene, Ethylene, and Ethane Molecules in the Hartree-Fock ModelThe Journal of Chemical Physics, 1972
- Hydrogen bond studies. 71. Ab initio calculation of the vibrational structure and equilibrium geometry in HF−2 and DF−2Chemical Physics Letters, 1972
- A new method for large-scale Cl calculationsChemical Physics Letters, 1972
- Theory of the strong hydrogen bond. Ab initio calculations on HF2- and H5O2+1aJournal of the American Chemical Society, 1970
- Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row AtomsThe Journal of Chemical Physics, 1970
- LCAO–MO–SCF Studies of HF2− and the Related Unstable Systems HF2 and HeF2The Journal of Chemical Physics, 1970
- Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AHThe Journal of Chemical Physics, 1967
- Gaussian-Type Functions for Polyatomic Systems. IThe Journal of Chemical Physics, 1965
- Potential Function for the Stretching Region in Potassium Acid FluorideThe Journal of Chemical Physics, 1964