An ab initio calculation of the infrared spectrum and tautomerism of guanine
- 1 February 1986
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 135, 253-266
- https://doi.org/10.1016/0166-1280(86)80063-x
Abstract
No abstract availableThis publication has 20 references indexed in Scilit:
- In-Plane Vibrational Modes of Guanine from an ab Initio MO CalculationBulletin of the Chemical Society of Japan, 1985
- Matrix isolation studies of nucleic acid constituents. 2. Quantitative ab initio prediction of the infrared spectrum of in-plane modes of uracilJournal of the American Chemical Society, 1984
- Vibrational spectra of uracils: Experimental infrared matrix studies andab initio quantum-mechanical calculationsInternational Journal of Quantum Chemistry, 1984
- 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
- Matrix isolation studies of nucleic acid constituents. 1. Infrared spectra of uracil monomersJournal of the American Chemical Society, 1983
- In-plane vibrational modes in the uracil molecule from an ab initio MO calculationJournal of the American Chemical Society, 1981
- Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elementsJournal of the American Chemical Society, 1980
- Dipole moment derivatives and infrared intensities. I. Polar tensorsThe Journal of Chemical Physics, 1974
- Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic MoleculesThe Journal of Chemical Physics, 1971
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969