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Proceedings Paper

Quantum chemical investigation of the Disperse Orange 3 molecule cis-trans isomerization through linear transition state and design of molecular machines
Author(s): Arvydas Tamulis; Jelena Tamuliene; Mindaugas L. Balevicius; Jean-Michel Nunzi
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Paper Abstract

The quantum chemical investigations of the Disperse Orange 3 (D03) molecule isomerization through linear transition state has been assumed and investigated when -N=N- bond broken in the first excited state was not obtained. The one- and many electron energy diagrams have been drawn. It is shown that crossing between active one electron-state takes place. The many-electron diagram indicates that crossing between the closed shell state and the lowest open shell state is present.

Paper Details

Date Published: 15 December 2000
PDF: 9 pages
Proc. SPIE 4087, Applications of Photonic Technology 4, (15 December 2000); doi: 10.1117/12.406467
Show Author Affiliations
Arvydas Tamulis, Institute of Theoretical Physics and Astronomy (Lithuania)
Jelena Tamuliene, Institute of Theoretical Physics and Astronomy (Lithuania)
Mindaugas L. Balevicius, Vilnius Univ. (Lithuania)
Jean-Michel Nunzi, CEA Saclay (France)


Published in SPIE Proceedings Vol. 4087:
Applications of Photonic Technology 4
Roger A. Lessard; George A. Lampropoulos, Editor(s)

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