An ab initio MO calculation of the electronic structure and geometry of protonated methanol
- 1 January 1976
- journal article
- Published by Elsevier in Journal of Molecular Structure
- Vol. 30 (1) , 129-136
- https://doi.org/10.1016/0022-2860(76)85053-3
Abstract
No abstract availableKeywords
This publication has 10 references indexed in Scilit:
- AB initio calculations of CH3OH vibrational force constantsChemical Physics, 1974
- Molecular orbital calculations of the electronic structure of borazaneThe Journal of Chemical Physics, 1974
- Near-molecular Hartree-Fock wavefunctions for CH3O−, CH3OH, and CH3OH2+The Journal of Chemical Physics, 1973
- The Electronic Structure and Stereochemistry of Simple Carbonium IonsPublished by Wiley ,1973
- Hydrogen bond studiesTheoretical Chemistry Accounts, 1973
- Comparative study of some SN2 reactions through ab initio calculationsJournal of the American Chemical Society, 1972
- CNDO/2 calculations and configuration analyses for some hydrogen-bonded systemsTheoretical Chemistry Accounts, 1972
- Gaussian basis sets for the first and second row atomsTheoretical Chemistry Accounts, 1970
- Gaussian-Type Functions for Polyatomic Systems. IThe Journal of Chemical Physics, 1965
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951