Электронная библиотека (репозиторий) Томского государственного университета
Minaev, Boris F.

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Source: New journal of chemistry. 2017. Vol. 41, № 7. P. 2717-2723
Type: статьи в журналах
Date: 2017
Description: Owing to their potential use in organic light-emitting diodes and field-effect transistors we present a theoretical study of a series of unsymmetrical azatrioxa[8]circulenes in order to explain the im ... More
Source: Molecular physics. 2017. Vol. 115, № 17/18. P. 2218-2230
Type: статьи в журналах
Date: 2017
Description: This mini-review presents recent advances in theory of electronic and spectral properties of hetero[8]circulenes used as promising fluorescent emitters for organic light-emitting diodes. Special atten ... More
Source: Journal of molecular modeling. 2016. Vol. 22, № 9. P. 214 (1-8)
Type: статьи в журналах
Date: 2016
Description: The electric dipole transitions between pure spin and mixed spin electronic states are calculated at the XMC-QDPT2 and MCSCF levels of theory, respectively, for different intermolecular distances of t ... More
Source: Russian physics journal. 2016. Vol. 59, № 4. P. 536-543
Type: статьи в журналах
Date: 2016
Description: A study of electronic states of LiO, NaO, KO, MgO, and CaO molecules has been performed. Potential energy curves of the investigated molecules have been constructed within the framework of the XMC-QDP ... More
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
Source: Physical chemistry chemical physics. 2016. Vol. 18, № 13. P. 8980-8992
Type: статьи в журналах
Date: 2016
Description: Magnetically induced current densities and current pathways have been calculated for a series of fully annelated dicationic and dianionic tetraphenylenes, which are also named [8]circulenes. The gauge ... More
Source: Physical chemistry chemical physics. 2016. Vol. 18, № 40. P. 28040-28051
Type: статьи в журналах
Date: 2016
Description: In the present work, we studied the synergetic effect of benzoannelation and NH/O-substitution for enhancing the absorption intensity in a series of novel designed benzoannelated aza- and oxa[8]circul ... More
Source: Russian physics journal. 2016. Vol. 58, № 9. P. 1205-1211
Type: статьи в журналах
Date: 2016
Description: Spectroscopic characteristics of complexes of Cu[I] ion with halogens synthesized by the TDDFT/CAM-B3LYP method are studied. It is shown that S0 → S1 and S0 → T1 electronic transitions are excitations ... More
Source: RSC Advances. 2015. Vol. 5. P. 24299-24305
Type: статьи в журналах
Date: 2015
Description: A series of alkali and alkaline-earth metal ion complexes with the tetraoxa[8]circulene sheet which possess single- and double-decker structure has been designed and studied by the DFT computational m ... More
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
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
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
Source: Russian chemical reviews. 2015. Т. Vol. 84, № 5. С. P. 455-484
Type: статьи в журналах
Date: 2015
Description: The present review highlights recent advances in experimental and theoretical chemistry dealing with investigation of the electronic structures and physicochemical properties of hetero[8]circulenes. T ... More
Source: Journal of molecular structure. 2015. Vol. 1086. P. 25-33
Type: статьи в журналах
Date: 2015
Description: A model fulvic acid (FA) was synthesized from a natural dye, hematoxylin, in a slow oxidative polymerization/condensation reaction catalysed by OH− at pH ca. 12. The resulting dark-brown product, acid ... More
Source: Optics and spectroscopy. 2015. Vol. 118, № 2. P. 214-223
Type: статьи в журналах
Date: 2015
Description: Experimental Raman spectra of the corticosteroid hormones corticosterone and desoxycorticosterone are recorded at different temperatures (in the range of 30–310 K) in the region of low-frequency (15–1 ... More
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