Электронная библиотека (репозиторий) Томского государственного университета
Karaush, Nataliya N. | 2015

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Add   Aromaticity of the completely annelated tetraphenylenes: NICS and GIMIC characterization
Authors: Baryshnikov, Gleb V. | Valiev, Rashid R. | Minaev, Boris F. | Karaush, Nataliya N.
Source: Journal of molecular modeling. 2015. Vol. 21, № 6. P. 136 (1-9)
Type: статьи в журналах
Date: 2015
Description: A series of heterocyclic and hydrocarbon [8]circulenes (also named completely annelated tetraphenylenes) were studied by the NICS and GIMIC methods in order to describe their aromatic properties from ... More
Add   DFT simulation of the heteroannelated octatetraenes vibronic spectra with the Franck-Condon and Herzberg-Teller approaches including Duschinsky effect
Authors: Karaush, Nataliya N. | Baryshnikov, Gleb V. | Minaev, Boris F. | Agren, Hans | Valiev, Rashid R.
Source: Chemical physics. 2015. Vol. 459. P. 65-71
Type: статьи в журналах
Date: 2015
Description: Calculations of vibronic structure in the electronic absorption spectra are carried out for the series of heteroannelated octatetraenes on the basis of density functional theory method. Both Franck–Co ... More
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