Quantum-chemical study of radical ions and molecules incorporating solvent effect.: II. Calculation of electronic transitions and spin densities of various conjugated radical anions in π-approximation
- 1 April 1977
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 21 (1) , 33-45
- https://doi.org/10.1016/0301-0104(77)85176-8
Abstract
No abstract availableKeywords
This publication has 18 references indexed in Scilit:
- Quantum-Chemical study of radical ions and molecules incorporating solvent effect.Chemical Physics, 1977
- Use of the CNDO method in spectroscopy. XIV. Electronic spectra of free radicals and free radical ionsThe Journal of Physical Chemistry, 1975
- Electronic absorption spectra of ion radicals and their molecular orbital interpretation. IV. Anion radicals of aromatic and unsaturated aliphatic carbonyl compoundsThe Journal of Physical Chemistry, 1974
- Uses of the CNDO method in spectroscopy. Doublet statesChemical Physics Letters, 1973
- Ultraviolet and electron spin resonance spectra of nitropyridines and nitropyridine N-oxidesThe Journal of Physical Chemistry, 1973
- A critical reexamination of semiempirical parameters used in π-electronic methods of the PPP-typeCollection of Czechoslovak Chemical Communications, 1973
- Electronic spectra of ion-radicals and their molecular orbital interpretation. I. Aromatic nitro-substituted anion-radicalsThe Journal of Physical Chemistry, 1971
- The calculation of excited state and ground state properties of conjugated heteroatomic molecules using a single SCF-LCAO-CI method including ?-polarizationTheoretical Chemistry Accounts, 1970
- The electronic spectra of the anion radicals of substituted benzenesTheoretical Chemistry Accounts, 1966
- Electronegativity. I. Orbital Electronegativity of Neutral AtomsJournal of the American Chemical Society, 1962