Thermodynamical properties and structural data of radicals calculated by MNDO–UHF
- 1 December 1982
- journal article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 3 (4), 486-494
- https://doi.org/10.1002/jcc.540030406
Abstract
No abstract availableKeywords
This publication has 24 references indexed in Scilit:
- The .PI. and .SIGMA.N electronic states of the succinimidyl radical. Can nitrogen-centered radicals have .SIGMA.N ground states? An ab initio studyJournal of the American Chemical Society, 1980
- Deuterium isotope effect on the e.s.r. Spectrum of annulene radicals: a reappraisalJournal of the Chemical Society, Chemical Communications, 1980
- Chemical generation of excited-state radicals: succinimidoylJournal of the American Chemical Society, 1979
- Forbidden radical rearrangements. Comparison with potential surfaces of Jahn-Teller radicalsJournal of the American Chemical Society, 1977
- Unrestricted open-shell calculations by MINDO/3. Geometries and electronic structure of radicalsJournal of the American Chemical Society, 1976
- Zusammenhänge zwischen Struktur und Reaktivität in der Chemie freier RadikaleAngewandte Chemie, 1970
- THE 2 700 Å BANDS OF THE N3 MOLECULECanadian Journal of Physics, 1965
- 468. The electronic orbitals, shapes, and spectra of polyatomic molecules. Part III. HAB and HAAH moleculesJournal of the Chemical Society, 1953
- Stability of polyatomic molecules in degenerate electronic states - I—Orbital degeneracyProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1937
- Note on Hartree's MethodPhysical Review B, 1930