Theoretical Investigation of the Structural and Spectroscopic Properties of Anthracene Dimers

Valiev, R.R.; Kopbalina, K.B.; Cherepanov, V.N.; Ibraev, N.Kh.; Mazhenov, N.A.

Theoretical Investigation of the Structural and Spectroscopic Properties of Anthracene Dimers

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@IRBIS_10_TOMS_Valiev_Theoretical_Investigation.pdf (1.21 MB)

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2014-05

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SPRINGER

Abstract

Equilibrium geometries of the ground electronic state of anthracene dimers are obtained using the density functional level of theory with the B97D hybrid functional and the TZVP basis set and their electronic absorption spectra are simulated.

Keywords

thin films, anthracene dimers, density functional theory

Citation

Theoretical Investigation of the Structural and Spectroscopic Properties of Anthracene Dimers / R. R. Valiev[a.o.] //Russian Physics Journal. - NEW YORK: SPRINGER. - 2014. - Vol.57: No1. - p.95-99. - ISSN 1064-8887

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https://rep.buketov.edu.kz/handle/data/628

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2014

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Theoretical Investigation of the Structural and Spectroscopic Properties of Anthracene Dimers

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