Theoretical Investigation of the Structural and Spectroscopic Properties of Anthracene Dimers

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.
URI: http://rep.ksu.kz/handle/data/2087
Date: 2014-05

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.

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