A unified approach to the determination of infrared and Raman vibrational optical activity intensities using localized molecular orbitals
- 15 November 1981
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 75 (10) , 4847-4851
- https://doi.org/10.1063/1.441921
Abstract
No abstract availableKeywords
This publication has 21 references indexed in Scilit:
- Localized molecular orbital calculations of vibrational circular dichroism. I. General theoretical formalism and CNDO results for the carbon–deuterium stretching vibration in neopentyl-1-d-chlorideThe Journal of Chemical Physics, 1981
- A dynamic polarization model for vibrational optical activity and the infrared circular dichroism of a dihydro[5]heliceneMolecular Physics, 1980
- Raman optical activity: Spectral simulation of the conformer dependent C-Cl stretching vibrations in 1-chloro-2-methylbutaneJournal of Raman Spectroscopy, 1979
- Optical activity in vibrational transitions: vibrational circular dichroism and Raman optical activityAccounts of Chemical Research, 1979
- The inertial contribution to vibrational optical activity in methyl torsion modesJournal of the American Chemical Society, 1979
- Raman optical activity. Computation of circular intensity differentials by the atom-dipole interaction modelJournal of the American Chemical Society, 1979
- Infrared absorption and the Born–Oppenheimer approximation. I. Vibrational intensity expressionsThe Journal of Chemical Physics, 1977
- Optical activity of polypeptides in the infrared. Predicted CD of the amide I and amide II bandsBiopolymers, 1975
- Simple two-group model for Rayleigh and Raman optical activityJournal of the American Chemical Society, 1974
- Erratum: Vibrational optical activityThe Journal of Chemical Physics, 1974