Heavy-atom tunneling in cyclobutadiene:Ab initio calculation of the intensities ofa g Raman lines
- 1 October 1992
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 84 (1-2) , 125-133
- https://doi.org/10.1007/bf01117408
Abstract
No abstract availableKeywords
This publication has 10 references indexed in Scilit:
- Ag vibrational levels of cyclobutadiene on a new potential energy surfaceInternational Journal of Quantum Chemistry, 1991
- Ab initio simulation of benzene Raman intensitiesInternational Journal of Quantum Chemistry, 1991
- The Raman spectrum of matrix-isolated cyclobutadiene. Evidence for environmental hindrance to heavy-atom tunneling?Journal of the American Chemical Society, 1991
- Variational calculations on the A g vibrational states, the automerization, and the predicted Raman spectrum of cyclobutadieneThe Journal of Chemical Physics, 1990
- Spectroscopy of CyclobutadienePublished by Springer Nature ,1990
- Tetrahedrane and CyclobutadieneAngewandte Chemie International Edition in English, 1988
- Medium-size polarized basis sets for high-level correlated calculations of molecular electric propertiesCollection of Czechoslovak Chemical Communications, 1988
- Analytic evaluation of infrared intensities and polarizabilities by two-configuration self-consistent field wave functionsTheoretical Chemistry Accounts, 1986
- Aspects of resonance Raman spectroscopy for the case of a double‐well potentialJournal of Raman Spectroscopy, 1983
- The vibration-rotation problem in triatomic molecules allowing for a large-amplitude bending vibrationJournal of Molecular Spectroscopy, 1970