Predicted vibrational frequencies and assignment of the spectra of uracil and its n,n-dideutero derivative by quantum chemical methods
- 1 March 1984
- journal article
- Published by Elsevier in Journal of Molecular Structure
- Vol. 115, 405-408
- https://doi.org/10.1016/0022-2860(84)80099-x
Abstract
No abstract availableKeywords
This publication has 11 references indexed in Scilit:
- A complete CNDO force field for the in-plane vibrations of naphthaleneJournal of Molecular Structure: THEOCHEM, 1982
- In-plane vibrational modes in the uracil molecule from an ab initio MO calculationJournal of the American Chemical Society, 1981
- Calculation of the in-plane force constants and vibrational spectra of pyridine and its deuterated derivatives by the CNDO/2 force methodJournal of Molecular Structure, 1980
- Normal-mode vibrational frequencies and thermodynamic properties of uracil and 4-hydroxyuracilInternational Journal of Quantum Chemistry, 1980
- Vibrational spectra of trans,trans-, cis,cis- and cis.trans-1,4- dideuterobuta-1,3-dienesJournal of Molecular Structure, 1978
- Prediction of vibrational spectra by the CNDO/2 force methodJournal of Molecular Structure, 1977
- Prediction of vibrational spectra by the CNDO/2 force methodJournal of Molecular Structure, 1976
- Prediction of vtbrational spectra by the CNDO/2 force methodJournal of Molecular Structure, 1976
- Calculation of molecular geometries and force constants from CNDO wavefunctions by the force methodMolecular Physics, 1973
- Ab initiocalculation of force constants and equilibrium geometries in polyatomic moleculesMolecular Physics, 1969