Электронная библиотека (репозиторий) Томского государственного университета
теория функционала плотности | Minaev, Boris F.

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Add   Anion-induced exchange interactions in binuclear complexes of Cu(II) with flexible hexadentate bispicolylamidrazone ligands
Authors: Baryshnikov, Gleb V. | Baryshnikova, Alina A. | Agren, Hans | Minaev, Boris F.
Source: Chemical physics letters. 2016. Vol. 661. P. 48-52
Type: статьи в журналах
Date: 2016
Description: Two recently synthesized copper(II) complexes with spacer-armed bispicolylamidrazone ligands have been theoretically studied at the density functional theory (DFT) level accounting for empirical dispe ... More
Add   Computational and experimental investigation of the optical properties of the chromene dyes
Authors: Minaev, Boris F. | Nikonova, Elena N. | Gadirov, Ruslan M. | Solodova, Tatyana A. | Kopylova, Tatyana N. | Telminov, Evgenii N. | Valiev, Rashid R.
Source: The Journal of Physical Chemistry A. 2015. Vol. 119, № 10. P. 1948-1956
Type: статьи в журналах
Date: 2015
Description: Absorption and fluorescence spectra of the chromene 3 and chromene 13 dyes are studied experimentally and by density functional theory (DFT) including vibronic structure analysis. Vertical electronic ... More
Add   Electron density distribution in the ethylene complexes with Pd-containing bimetallic clusters
Authors: Filonenko, Svitlana N. | Minaev, Boris F. | Baryshnikov, Gleb V.
Source: Molecular simulation. 2013. Vol. 39, № 8. P. 660-669
Type: статьи в журналах
Date: 2013
Add   Structural and electronic properties of poly(9,9-dialkylfluorene)-based alternating copolymers in solution: An NMR spectroscopy and density functional theory study
Authors: Ramos, M. Luísa | Abreu, P. E. | Charas, Ana | Morgado, Jorge | Scherf, Ullrich | Minaev, Boris F. | Ågren, Hans | Burrows, Hugh D. | Justino, Licínia L. G.
Source: The Journal of Physical Chemistry C. 2013. Vol. 117, № 35. P. 17969-17982
Type: статьи в журналах
Date: 2013
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