Organic quantum chemistry—XXV : A theoretical study of the electronic spectra of some α-diketones and unsaturated ketones

Keywords

Chemistry, Quantum, Computational chemistry, Nanotechnology, Quantum mechanics

References

• Analog of n→π Transitions in Mono‐OlefinsR. Stephen Berry — 1963
• Ground states of conjugated molecules. XIII. Basicities of conjugated carbonyl compoundsMichael J. S. Dewar, Toshifumi Morita — 1969
• Conformational analysis. LX. Improved calculations of the structures and energies of hydrocarbons by the Westheimer methodNorman L. Allinger, Jerry Hirsch, Mary Ann Miller — 1968
• The measure of electronegativityH. A. Skinner, H. O. Pritchard — 1953
• Molecular orbital calculations on carbonium ions. II. Methyl, ethyl, and vinyl cations. The series C3H7+Reiner Sustmann, J. E. Williams, Michael J. S. Dewar — 1969
• Effect of Polar Solvents on the Absorption Frequency of n→π Electronic TransitionsHarden M. McConnell — 1952
• Assignment of the Ultraviolet Mystery Band of OlefinsM. B. Robin, Robert R. Hart, N. A. Kuebler — 1966
• The effect of σ and π singly-excited configurations in the calculation of excited states by the CNDO and INDO approximationsC. Giessner‐Prettre, Alberte Pullman — 1969
• The Influence of Steric Configuration on the Ultraviolet Absorption of 1,2-DiketonesNelson J. Leonard, Paul Mäder — 1950
• Conformational analysis. LXV. Calculation by the Westheimer method of the structures and energies of a variety of organic molecules containing nitrogen, oxygen, and halogenNorman L. Allinger, Jerry Hirsch, Mary Ann Miller — 1969
• Organic quantum chemistry. XIX. Calculation of the electronic spectra of unsaturated ketonesNorman L. Allinger, Thomas W. Stuart, Julia C. Tai — 1968
• Zur Deutung der UV.‐Absorptionsspektren von β,γ‐ungesättigten KetonenHeinrich Labhart, G. Wagnière — 1959
• Application of the VESCF method to calculation of the electronic spectra of pyridine, pyrrole, and furanJulia C. Tai, Norman L. Allinger — 1969
• Low‐Lying Pi—Sigma Transition in the Spectrum of NorbornadieneM. B. Robin, N. A. Kuebler — 1966
• Conformational Analysis. XLIV. The Dependence of Some Physical Properties of Acetophenone Derivatives on the Conformation of the Side Chain1-3Norman L. Allinger, Edward S. Jones — 1965
• Configuration Interaction in Molecular‐Orbital TheoryNorman L. Allinger, Thomas W. Stuart — 1967
• The Molecular Structures of Glyoxal and Dimethylglyoxal by the Electron Diffraction MethodJames E. LuValle, Verner Schomaker — 1939
• Further studies on configuration interaction in the molecular orbital theory of π-systemsThomas W. Stuart, Norman L. Allinger — 1968
• Conformational analysis. LXIV. Calculation of the structures and energies of unsaturated hydrocarbons by the Westheimer methodNorman L. Allinger, Jerry Hirsch, Mary Ann Miller — 1968
• Approximate Self‐Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 SystemsJohn A. Pople, Gerald A. Segal — 1966

Cited by

• n→π*‐Übergänge in Dicarbonylverbindungen Der Einfluss der n, n‐ und π*, π*‐WechselwirkungWerner Hug, Jörg Kühn, K. Seibold — 1971
• Preparations and properties of pseudo-geminal ketones of tris-[2.2.2]- and tetrakis[2.2.2.2]parazylyleneIwao Tabushi, Zen‐ichi Yoshida, F. Imishiro — 1975
• The conformational analysis of benzocycloalkanones using the lanthanide induced shift msthodJan Epsztajn, Adam Bieniek, Jacek Z. Brzeziński — 1986
• 100 MHz n.m.r. spectra and conformational analysis of some methyl and trimethyl derivatives of 1-tetraloneKnut Bergesen, Michael J. Cook, Teh Kim Hock — 1976
• ORGANISCHE QUANTENCHEMIE 25. MITT. THEORETISCHE UNTERSUCHUNG DER ELEKTRONENSPEKTREN VON ALPHA-DIKETONEN UND UNGESAETTIGTEN KETONENLibby W. Chow, Norman L. Allinger — 1970

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