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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

Puni tekst: engleski, pdf (3 MB) str. 711-717 preuzimanja: 88* citiraj
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. Preuzeto s 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, br. 3, 1986, str. 711-717. https://hrcak.srce.hr/177298. Citirano 18.09.2020.
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, br. 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), str. 711-717. Preuzeto s: https://hrcak.srce.hr/177298 (Datum pristupa: 18.09.2020.)
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 [pristupljeno 18.09.2020.];59(3):711-717. Dostupno na: 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, br. 3, str. 711-717, 1986. [Online]. Dostupno na: https://hrcak.srce.hr/177298. [Citirano: 18.09.2020.]

Sažetak
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

Posjeta: 159 *