Электронная библиотека (репозиторий) Томского государственного университета

Add to Quick Collection   All 34 Results

Showing items 1 - 15 of 34.
Sort:
 Add All Items to Quick Collection
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: Chemical Society reviews. 2017. Vol. 46, № 14. P. 4150-4167
Type: статьи в журналах
Date: 2017
Description: Lanthanide-doped upconversion nanoparticles (UCNPs) are promising for applications as wide as biological imaging, multimodal imaging, photodynamic therapy, volumetric displays, and solar cells. Yet, t ... More
Source: Spectrochimica acta. Part A : Molecular and biomolecular spectroscopy. 2017. Vol. 173. P. 59-64
Type: статьи в журналах
Date: 2017
Description: Electronic absorption and luminescence spectra of four new compounds of divinyldiphenyl and divinylphenanthrene derivatives are investigated experimentally in tetrahydrofuran solutions and thin films ... More
Source: Molecular physics. 2017. Vol. 115, № 1/2. P. 252-259
Type: статьи в журналах
Date: 2017
Description: Core–valence double-electron ionisation spectra of a few small molecules – carbon monoxide, ammonia, methyl fluoride and thiophene – are presented and analysed using the self-consistent field algorith ... More
Source: Оптика атмосферы и океана. Физика атмосферы : XXIII международный симпозиум, 3-7 июля 2017 года, Иркутск : тезисы докладов. Томск, 2017. С. 29-30
Type: статьи в сборниках
Date: 2017
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: 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. 59, № 2. P. 197-203
Type: статьи в журналах
Date: 2016
Description: A theoretical and experimental study of electronic states and the absorption spectra of 3-nitroformazan molecules was conducted. The results of the study show that the first electron transition is σ→π ... More
Source: Chemical physics letters. 2016. Vol. 665. P. 111-116
Type: статьи в журналах
Date: 2016
Description: In the present paper we describe the first synthesis and evaluation of a novel Mn (II) complex (DTPA-PPDA Mn (II)) which contains a C-15 fatty acid moiety that has high affinity to the heart muscle. T ... 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: Current organic synthesis. 2016. Vol. 13, № 4. P. 623-628
Type: статьи в журналах
Date: 2016
Description: A general and simple procedure for the synthesis of 3-nitroformazan using arenediazonium tosylates was developed. This convenient procedure can be applied for the preparation of 3-nitroformazans conta ... More
Source: Physical chemistry chemical physics. 2016. Vol. 18, № 17. P. 11932-11941
Type: статьи в журналах
Date: 2016
Description: Magnetically induced current densities have been calculated and analyzed for a number of synthesized carbachlorins and carbaporphyrins using density functional theory and the gauge including magnetica ... More
Source: Russian physics journal. 2016. Vol. 59, № 1. P. 1-7
Type: статьи в журналах
Date: 2016
Description: Spectral, luminescent, and lasing characteristics of chromene dyes and their julolidine analogs emitting in the red spectral range are investigated experimentally and theoretically. It is shown that t ... More
^