Vibrational frequencies and infrared intensities for malonaldehyde: a post-Hartree-Fock theoretical study
- 25 April 1986
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 126 (1) , 1-6
- https://doi.org/10.1016/0009-2614(86)85106-5
Abstract
No abstract availableKeywords
This publication has 19 references indexed in Scilit:
- The malonaldehyde equilibrium geometry: A major structural shift due to the effects of electron correlationThe Journal of Chemical Physics, 1985
- Microwave spectroscopic study of malonaldehyde. 4. Vibration-rotation interaction in parent speciesJournal of the American Chemical Society, 1984
- Microwave spectroscopic study of malonaldehyde. 3. Vibration-rotation interaction and one-dimensional model for proton tunnelingJournal of the American Chemical Society, 1984
- Structure and tunneling dynamics of malonaldehyde. A theoretical studyJournal of the American Chemical Society, 1983
- The infrared spectrum of gaseous malonaldehyde (3-hydroxy-2-propenal)Spectrochimica Acta Part A: Molecular Spectroscopy, 1983
- On the infrared spectrum of malonaldehyde, a tunneling hydrogen-bonded moleculeJournal of Molecular Spectroscopy, 1982
- Microwave spectroscopic study of malonaldehyde (3-hydroxy-2-propenal). 2. Structure, dipole moment, and tunnelingJournal of the American Chemical Society, 1981
- The intramolecular hydrogen bond in malonaldehydeJournal of the American Chemical Society, 1976
- The influence of polarization functions on molecular orbital hydrogenation energiesTheoretical Chemistry Accounts, 1973
- Gaussian-Type Functions for Polyatomic Systems. IThe Journal of Chemical Physics, 1965