Normal coordinate ab initio force relaxation
- 15 October 1978
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 58 (4) , 541-544
- https://doi.org/10.1016/0009-2614(78)80014-1
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- Vibrational analyses employing cartesian coordinatesJournal of Molecular Structure, 1977
- Molecular Structure of Formamide as Studied by Gas Electron DiffractionBulletin of the Chemical Society of Japan, 1974
- Rapid geometry optimization for semi-empirical molecular orbital methodsChemical Physics Letters, 1971
- Ab initiocalculation of force constants and equilibrium geometriesMolecular Physics, 1971
- Computational experience with quadratically convergent minimisation methodsThe Computer Journal, 1970
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969
- Ab initiocalculation of force constants and equilibrium geometries in polyatomic moleculesMolecular Physics, 1969
- Electron-Diffraction Study of Water and Heavy WaterThe Journal of Chemical Physics, 1965
- A Comparison of the Molecular Structures of Ammonia and Deuteroammonia as Determined by Electron Diffraction.Acta Chemica Scandinavica, 1964
- Mean and Equilibrium Molecular Structures of Methane and Deuteromethane as Determined by Electron DiffractionThe Journal of Chemical Physics, 1961