Barriers to internal rotation obtained by pseudopotential calculations
- 1 September 1976
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 65 (5) , 2035-2036
- https://doi.org/10.1063/1.433262
Abstract
No abstract availableThis publication has 12 references indexed in Scilit:
- Molecular pseudopotential calculations on transition-metal complexes: Ni(CO)4, Pd(CO)4, and Pt(CO)4Chemical Physics Letters, 1976
- Use of pseudopotential theory to study molecular structure. II. NOCOR (neglect of core orbitals) calculation of the P4 and P2 molecules and their interconversionInorganic Chemistry, 1976
- On pseudopotential and effective-potential SCF theory and its application to compounds of heavy elementsThe Journal of Chemical Physics, 1975
- Use of pseudopotential theory to study molecular structure. Phosphorus halidesInorganic Chemistry, 1975
- Pseudopotential SCF method for valence-only molecular calculationsJournal of the American Chemical Society, 1975
- Dependence of the CH3SiH3 barrier to internal rotation on vibrational coordinates: Testing of models and effect of vibrations on the observed barrier heightThe Journal of Chemical Physics, 1974
- The Barrier to Internal Rotation in EthaneScience, 1973
- Geometry Optimization in the Computation of Barriers to Internal RotationThe Journal of Chemical Physics, 1970
- Comparison of Molecular Structures Determined by Electron Diffraction and Spectroscopy. Ethane and DiboraneThe Journal of Chemical Physics, 1968
- Microwave Spectrum, Structure, Dipole Moment, and Internal Rotation of Trimethyl SilaneThe Journal of Chemical Physics, 1960