Scaled quantum mechanical (SQM) force field and vibrational assignment for hexatriene
- 1 May 1987
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 151, 341-354
- https://doi.org/10.1016/0166-1280(87)85069-8
Abstract
No abstract availableThis publication has 20 references indexed in Scilit:
- Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethyleneJournal of the American Chemical Society, 1983
- The solution of the inverse spectroscopic problem for their spectra of trans- and cis-hexatrienesJournal of Molecular Structure: THEOCHEM, 1982
- Photodynamics of polyenes: The effect of electron correlation on potential surfacesThe Journal of Chemical Physics, 1980
- Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivativesJournal of the American Chemical Society, 1979
- Correlation of Pi-Electron Density with Vibrational Frequencies of Linear PolyenesThe Journal of Chemical Physics, 1971
- Mean Amplitudes of Vibration and Perpendicular Amplitude Correction Coefficients for the cis and trans Isomers of 1,3,5-Hexatriene.Acta Chemica Scandinavica, 1969
- The Single and Double Bonds between sp2-Hybridized Carbon Atoms, as studied by the Gas Electron Diffraction Method. II. The Molecular Structure of 1,3,5-trans, trans, trans-Hexatriene.Acta Chemica Scandinavica, 1968
- The Single and Double Bonds between sp2-Hybridized Carbon Atoms, as Studied by the Gas Electron Diffraction Method. III. The Molecular Structure of 1,3,5-cis-Hexatriene.Acta Chemica Scandinavica, 1968
- The Vibrational Spectra and Geometric Configuration of cis-1,3,5-HexatrieneJournal of the American Chemical Society, 1962
- The Vibrational Spectra and Geometrical Configuration of 1,3,5-Hexatriene1Journal of the American Chemical Society, 1958