Электронная библиотека (репозиторий) Томского государственного университета
Tchaikovskaya, Olga N.

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Add   Electronically excited states in model complexes of noble metal clusters with carbon nanodots
Authors: Pomogaev, Vladimir A. | Lee, H. J. | Goh, E. | Tchaikovskaya, Olga N. | Kononov, Alexei I. | Avramov, Pavel V.
Source: Russian physics journal. 2022. Vol. 64, № 11. P. 2076-2081
Type: статьи в журналах
Date: 2022
Description: Theoretical calculations of excited states in the complexes of gold and silver three-atom nanoclusters with carbon quantum nanodots are performed using the M062X functional and the def2SVP {H}/def2TZV ... More
Add   Extreme structure and spontaneous lift of spin degeneracy in doped perforated bilayer graphenes
Authors: Melchakova, Iuliia A. | Tenev, T. G. | Vitanov, N. V. | Tchaikovskaya, Olga N. | Chernozatonskii, L. A. | Yakobson, B. I. | Avramov, Pavel V.
Source: Carbon. 2022. Vol. 192. P. 61-70
Type: статьи в журналах
Date: 2022
Description: Extreme structure and spin states of doped and undoped perforated bigraphenes was studied using DFT simulations. It was found that folded nanopores possess extremely high curvature of 0.34 Å−1. Dramat ... More
Add   Migration of excitation energy in furocoumarins
Authors: Tchaikovskaya, Olga N. | Dmitrieva, N. G. | Bocharnikova, Elena N. | Chaidonova, Vlada S. | Avramov, Pavel V.
Source: Frontiers in chemistry. 2021. Vol. 9. P. 754950 (1-10)
Type: статьи в журналах
Date: 2021
Description: The migration of excitation energy of a number of psoralen compounds has been studied. For this, the methods of induced absorption spectroscopy, stationary electron spectroscopy, fluorescence and phos ... More
Add   Potential energy surfaces of adsorption and migration of transition metal atoms on nanoporus materials: The case of nanoporus bigraphene and G-C3N4
Authors: Melchakova, Iuliia A | Nikolaeva, Kristina M. | Kovaleva, Evgenia A. | Tomilin, Felix N. | Ovchinnikov, Sergey G. | Tchaikovskaya, Olga N. | Avramov, Pavel V. | Kuzubov, Alexander A.
Source: Applied surface science. 2021. Vol. 540. P. 148223 (1-9)
Type: статьи в журналах
Date: 2021
Description: Abstract First-row transition metal (TM) atoms adsorption and migration on nanoporus 2D materials like bigraphene with double vacancies and g-C3N4 as the active sites for TM nanocluster’s growth was s ... More
Add   Synthesis, mass spectroscopy detection, and density functional theory investigations of the gd endohedral complexes of C82 fullerenols
Authors: Shakirova, Anastasia A. | Tomilin, Felix N. | Pomogaev, Vladimir A. | Vnukova, Natalia G. | Churilov, Grigory N. | Kudryasheva, Nadezhda S. | Tchaikovskaya, Olga N. | Ovchinnikov, Sergey G. | Avramov, Pavel V.
Source: Computation. 2021. Vol. 9, № 5. P. 58 (1-12)
Type: статьи в журналах
Date: 2021
Description: Gd endohedral complexes of C82 fullerenols were synthesized and mass spectrometry analysis of their composition was carried out. It was established that the synthesis yields a series of fullerenols Gd ... More
Add   Towards advanced complex quantum materials for spin-related applications and photo-induced heterogeneous catalysis: The case of (Fen) @g-CN1 (n = 2,3) and (Mn)@(g-CN1)2
Authors: Melchakova, Iuliia A. | Tchaikovskaya, Olga N. | Avramov, Pavel V.
Source: Computational materials science. 2021. Vol. 197. P. 110610 (1-6)
Type: статьи в журналах
Date: 2021
Description: Perspective heterostructures based on Fe and Mn adatoms on 2D g-C3N4 films of different morphology were designed and investigated by means of DFT GGA/PBE and GGA/HSE levels of theory. Spontaneous spin ... More
Add   Unusual shift in the visible absorption spectrum of an active ctenophore photoprotein elucidated by time‑dependent density functional theory
Authors: Tomilin, Felix N. | Rogova, Anastasia V. | Burakova, Ludmila P. | Tchaikovskaya, Olga N. | Avramov, Pavel V. | Fedorov, Dmitri G. | Vysotski, Eugene S.
Source: Photochemical & photobiological sciences. 2021. Vol. 20, № 4. P. 559-570
Type: статьи в журналах
Date: 2021
Description: Active hydromedusan and ctenophore Ca2+-regulated photoproteins form complexes consisting of apoprotein and strongly non-covalently bound 2-hydroperoxycoelenterazine (an oxygenated intermediate of coe ... More
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