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Original scientific paper

The Alternant Hydrocarbon Pairing Theorem and All-Valence Electrons Theory. An Approximate LCOAO Theory for the Electronic Absorption and MeD Spectra of Conjugated Organic Compounds. 1.

Jens Spanget-Larsen ; Royal Danish School of Educational Studies, Department of Chemistry, Emdrupvej 115 B, DK-2400 Copenhagen NV, Denmark

Fulltext: english, pdf (3 MB) pages 711-717 downloads: 92* cite
APA 6th Edition
Spanget-Larsen, J. (1986). The Alternant Hydrocarbon Pairing Theorem and All-Valence Electrons Theory. An Approximate LCOAO Theory for the Electronic Absorption and MeD Spectra of Conjugated Organic Compounds. 1.. Croatica Chemica Acta, 59 (3), 711-717. Retrieved from https://hrcak.srce.hr/177298
MLA 8th Edition
Spanget-Larsen, Jens. "The Alternant Hydrocarbon Pairing Theorem and All-Valence Electrons Theory. An Approximate LCOAO Theory for the Electronic Absorption and MeD Spectra of Conjugated Organic Compounds. 1.." Croatica Chemica Acta, vol. 59, no. 3, 1986, pp. 711-717. https://hrcak.srce.hr/177298. Accessed 26 Oct. 2020.
Chicago 17th Edition
Spanget-Larsen, Jens. "The Alternant Hydrocarbon Pairing Theorem and All-Valence Electrons Theory. An Approximate LCOAO Theory for the Electronic Absorption and MeD Spectra of Conjugated Organic Compounds. 1.." Croatica Chemica Acta 59, no. 3 (1986): 711-717. https://hrcak.srce.hr/177298
Harvard
Spanget-Larsen, J. (1986). 'The Alternant Hydrocarbon Pairing Theorem and All-Valence Electrons Theory. An Approximate LCOAO Theory for the Electronic Absorption and MeD Spectra of Conjugated Organic Compounds. 1.', Croatica Chemica Acta, 59(3), pp. 711-717. Available at: https://hrcak.srce.hr/177298 (Accessed 26 October 2020)
Vancouver
Spanget-Larsen J. The Alternant Hydrocarbon Pairing Theorem and All-Valence Electrons Theory. An Approximate LCOAO Theory for the Electronic Absorption and MeD Spectra of Conjugated Organic Compounds. 1.. Croatica Chemica Acta [Internet]. 1986 [cited 2020 October 26];59(3):711-717. Available from: https://hrcak.srce.hr/177298
IEEE
J. Spanget-Larsen, "The Alternant Hydrocarbon Pairing Theorem and All-Valence Electrons Theory. An Approximate LCOAO Theory for the Electronic Absorption and MeD Spectra of Conjugated Organic Compounds. 1.", Croatica Chemica Acta, vol.59, no. 3, pp. 711-717, 1986. [Online]. Available: https://hrcak.srce.hr/177298. [Accessed: 26 October 2020]

Abstracts
The significance of the pairing theorem for alternant hydrocarbons
is demonstr ated by a variety of experimental data, but standard all-valence electrons methods based on the »Neglect of Differential Overlap« (NDO) approximation fail to predict the observed pairing properties for this class of compounds. In this communication, a new all-valence electrons method is presented, using a basis of L6wdin orthogonalized atomic orbitals. This »Linear Combination of Orthogonalized Atomic Orbitals« (LCOAO) method is designed to predict the electronic absorption and magnetic circular dichroism data for organic :n: systems with particular emphasis on the pairing properties of alternants. Results for phenanthrene and hiphenylene are discussed.

Hrčak ID: 177298

URI
https://hrcak.srce.hr/177298

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