Uniquely defined harmonic force constants in redundant coordinates
- 1 August 1987
- journal article
- Published by Elsevier in Journal of Molecular Structure
- Vol. 160 (1-2) , 159-177
- https://doi.org/10.1016/0022-2860(87)87014-x
Abstract
No abstract availableThis publication has 12 references indexed in Scilit:
- Linear force constants in harmonic force fieldsJournal of Molecular Structure, 1984
- Displacement coordinates in molecular dynamicsChemical Physics, 1984
- Properties of quadratic force fields in redundant coordinatesJournal of Molecular Structure: THEOCHEM, 1983
- Force field, dipole moment derivatives, and vibronic constants of benzene from a combination of experimental and a b i n i t i o quantum chemical informationThe Journal of Chemical Physics, 1981
- Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivativesJournal of the American Chemical Society, 1979
- Programme for normal co-ordinate calculations; vibrational analysis of diborane and halides M2X6(M = Al, Ga, or ln)J. Chem. Soc. A, 1970
- Redundant coordinates in the harmonic approximationChemical Physics Letters, 1968
- Normal coordinates for the planar vibrations of benzeneSpectrochimica Acta Part A: Molecular Spectroscopy, 1968
- Redundant vibrational coordinates. Part I. The harmonic potential functionJournal of Molecular Spectroscopy, 1964
- Vibrational analysis of the n-paraffins—IISpectrochimica Acta, 1963