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An International Journal at the Interface Between Chemistry and Physics

Volume 16, 1969 - Issue 4

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A CNDO CI study of the electronic structure of trans-acrolein

B. Tinland Section de Recherches de Mécanique Ondulatoire Appliquée, Faculté des Sciences de Lyon, 69, Villeurbanne, France

Pages 413-416 | Received 23 Dec 1968, Published online: 11 Aug 2006

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https://doi.org/10.1080/00268976900100461

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Bunji Uno, Toshio Kawakita, Kenji Kano, Noriko Okumura, Masashi Goto & Tanekazu Kubota. (1994) Spectroscopic Study of the Conformational Dependence on Acid Dissociation of Phenoxypyridinium Cations. Bulletin of the Chemical Society of Japan 67:8, pages 2304-2307.
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Bunji Uno, Toshio Kawakita, Kenji Kano, Kiyoshi Ezumi & Tanekazu Kubota. (1992) Spectroscopic Analysis and Geometry Assignment of the Minimum Energy Conformations of 2-Phenoxypyridines and Diphenyl Ethers. Bulletin of the Chemical Society of Japan 65:10, pages 2697-2703.
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Cheng Chen. (2013) CNDO Calculation and Homo Repulsive Bond Order of Aromatics. Journal of the Chinese Chemical Society 30:1, pages 21-28.
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B. Guha Niyogi, D. C. Mukherjee & A. B. Sannigrahi. (2004) Effect of semi‐empirical parameters on the simple random‐phase approximation calculations of conjugated hydrocarbons. International Journal of Quantum Chemistry 12:4, pages 639-654.
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Hiroshi Morita, Kiyokazu Fuke & Saburo Nagakura. (1976) Electronic Structure and Spectra of Acrylic Acid in the Vapor and Condensed Phases. Bulletin of the Chemical Society of Japan 49:4, pages 922-928.
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Toshio Hayashi & Takeshi Nakajima. (1975) CNDO/2 Calculations of the Ionization Potentials and Electronic Spectra of Some Unsaturated Hydrocarbons. Bulletin of the Chemical Society of Japan 48:3, pages 980-984.
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Robert E. Linder, Hannah Weiler-Feilchenfeld, G�nter Barth, Edward Bunnenberg & Carl Djerassi. (1974) Magnetic circular dichroism studies XXXII. Theoretica Chimica Acta 36:2, pages 135-143.
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Koichi Ohno, Tomohiko Hirooka, Yoshiya Harada & Hiroo Inokuchi. (1973) Modified CNDO 2 Calculations of Ionization Potentials for Some Unsaturated Hydrocarbons. Bulletin of the Chemical Society of Japan 46:8, pages 2353-2355.
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Zen-ichi Yoshida & Tsunetoshi Kobayashi. (1973) On a modified INDO SCF MO CI method. The Journal of Chemical Physics 58:1, pages 334-339.
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H. Morita & S. Nagakura. (1972) CNDO/2 calculations and configuration analyses for some hydrogen-bonded systems. Theoretica Chimica Acta 27:4, pages 325-338.
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N. D. Chuvylkin & G. M. Zhidomirov. (1971) Semiempirical quantum-chemical methods for examining ?-electron systems and calculation of ?-electron radicals. Journal of Structural Chemistry 12:2, pages 326-354.
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A CNDO CI study of the electronic structure of trans-acrolein

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