Электронная библиотека (репозиторий) Томского государственного университета
Valiev, Rashid R.

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Add   Aromaticity of charged cyclocarbon radicals (Cn± = 6–30)
Authors: Valiulina, Lenara I. | Valiev, Rashid R. | Cherepanov, Victor N. | Stepanova, Elena V.
Source: Chemical physics letters. 2025. Vol. 858. P. 141753 (1-4)
Type: статьи в журналах
Date: 2025
Description: Aromaticity of charged cyclocarbon radicals (Сn±=6–30) have been studied computationally at density functional level of theory based on the magnetically induced ring-current calculations. It was found ... More
Add   Unraveling the photophysics of zinc porphyrin oligomers
Authors: Valiulina, Lenara I. | Khoroshkin, K. | Valiev, Rashid R. | Cherepanov, Victor N. | Stepanova, Elena V.
Source: Chemical physics letters. 2025. Vol. 870. P. 142089 (1-5)
Type: статьи в журналах
Date: 2025
Description: Photophysics of zinc (II)-porphyrin oligomers PZn(ethyne) (n = 2–5) was investigated computationally using TDDFT and CC2 methods. The excitation energies of the S1 state of porphyrin oligomers decreas ... More
Add   Influence of perhalophenyl groups in the TADF mechanism of diphosphino gold(I) complexes
Authors: Soldevilla, Inés | García-Camacho, Aimara | Nasibullin, Rinat T. | Olmos, M. Elena | Monge, Miguel | Sundholm, Dage | Valiev, Rashid R. | López-de-Luzuriaga, José M. | Rodríguez-Castillo, María
Source: Journal of materials chemistry. 2022. Vol. 10, № 12. P. 4894-4904
Type: статьи в журналах
Date: 2022
Description: New perhalophenyl three-coordinated gold(i) complexes using the chelate ligand 1,2-bis(diphenyl-phosphino)benzene (dppBz) and [AuR(tht)] (R = C6F5 (1), o-C6BrF4 (2), p-C6BrF4 (3), o-C6F4I (4), p-C6F4I ... More
Add   Integration of global ring currents using the Ampère–Maxwell law
Authors: Berger, Raphael J. F. | Dimitrova, Maria | Nasibullin, Rinat T. | Valiev, Rashid R. | Sundholm, Dage
Source: Physical chemistry chemical physics. 2022. Vol. 24, № 2. P. 624-628
Type: статьи в журналах
Date: 2022
Add   Magnetically induced ring currents in metallocenothiaporphyrins
Authors: Valiev, Rashid R. | Kurten, Theo | Valiulina, Lenara I. | Ketkov, Sergey Yu. | Cherepanov, Victor N. | Dimitrova, Maria | Sundholm, Dage
Source: Physical chemistry chemical physics. 2022. Vol. 24, № 3. P. 1666-1674
Type: статьи в журналах
Date: 2022
Add   Odd-number cyclo[n]carbons sustaining alternating aromaticity
Authors: Baryshnikov, Gleb V. | Valiev, Rashid R. | Valiulina, Lenara I. | Kurtsevich, Alexandr E. | Kurtén, Theo | Sundholm, Dage | Pittelkow, Michael | Zhang, Jinglai | Ågren, Hans
Source: The Journal of Physical Chemistry A. 2022. Vol. 126, № 16. P. 2445-2452
Type: статьи в журналах
Date: 2022
Description: Cyclo[n]carbons (n = 5, 7, 9,..., 29) composed from an odd number of carbon atoms are studied computationally at density functional theory (DFT) and ab initio complete active space self-consistent fie ... More
Add   Vibronic spectra of bifluorene and terfluorene
Authors: Valiev, Rashid R. | Sunchugashev, Dmitriy A. | Gadirov, Ruslan M. | Nasibullin, Rinat T. | Cherepanov, Victor N.
Source: Russian physics journal. 2022. Vol. 64, № 11. P. 2082-2088
Type: статьи в журналах
Date: 2022
Description: Using the method of the density functional theory (DFT/B3LYP/6-31G(d,p)), the vibrational absorption and emission spectra of bifluorene and terfluorene molecules are calculated. A good agreement is ob ... More
Add   A hybrid molecular sensitizer for triplet fusion upconversion
Authors: Wang, Xinyu | Wang, Xing | Baryshnikov, Gleb V. | Valiev, Rashid R. | Fan, Rongwei | Lu, Songtao | Ågren, Hans | Chen, Guanying
Source: Chemical engineering journal. 2021. Vol. 426. P. 131282 (1-8)
Type: статьи в журналах
Date: 2021
Description: Triplet fusion upconversion is useful for a broad spectrum of applications ranging from solar cells, photoredox catalysis, to biophotonics applications, especially in the near-infrared (NIR,>700 nm) r ... More
Add   Dianthracenylazatrioxa[8]circulene: synthesis, characterization and application in OLEDs
Authors: Pedersen, Stephan K. | Pedersen, Viktor B. R. | Kamounah, Fadhil S. | Broløs, Line M. | Baryshnikov, Gleb V. | Valiev, Rashid R. | Ivaniuk, Khrystyna | Stakhira, Pavlo | Minaev, Boris F. | Karaush-Karmazin, Nataliya N. | Ågren, Hans | Pittelkow, Michael
Source: Chemistry - a European journal. 2021. Vol. 27, № 45. P. 11609-11617
Type: статьи в журналах
Date: 2021
Description: A soluble and green-blue fluorescent -extended azatrioxa[8]circulene was synthesized by oxidative condensation of a 3,6-dihydroxycarbazole and 1,4-anthraquinone utilizing benzofuran scaffolding. This ... More
Add   Fast estimation of the internal conversion rate constant in photophysical applications
Authors: Valiev, Rashid R. | Nasibullin, Rinat T. | Cherepanov, Victor N. | Kurtsevich, A. E. | Sundholm, Dage | Kurten, Theo
Source: Physical chemistry chemical physics. 2021. Vol. 23, № 11. P. 6344-6348
Type: статьи в журналах
Date: 2021
Description: An efficient method for estimating non-adiabatic coupling matrix elements (NACME) and rate constants for internal conversion (kIC) is presented. The method, based on Plotnikov’s theory, requires only ... More
Add   Franck-Condon factors and vibronic patterns of singlet-triplet transitions of 16O3 molecule falling near the dissociation threshold and above
Authors: Egorov, Oleg V. | Valiev, Rashid R. | Kurten, Theo | Tyuterev, Vladimir G.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2021. Vol. 273. P. 107834 (1-12)
Type: статьи в журналах
Date: 2021
Description: The Franck-Condon factors were calculated for vertical electronic transitions between the ground singlet (X1 A1 ) and 3 A2 , 3 B2 , and 3 B1 excited triplet states associated with the Wulf band of the ... More
Add   Influence of the Dushinsky effect on the vibronic spectra of 9,9,9',9'-tetramethyl-2,2'-bifluorene
Authors: Sunchugashev, Dmitriy A. | Valiev, Rashid R. | Nasibullin, Rinat T. | Cherepanov, Victor N.
Source: 5th International symposium on molecular photonics dedicated to the memory of Academician A. N. Terenin (1896-1967), May 6–7, 2021, Peterhof, St. Petersburg, Russia : book of abstracts. [S. l.], 2021. P. 78-
Type: статьи в сборниках
Date: 2021
Add   Less is more: on the effect of benzannulation on the solid-state emission of difluoroborates
Authors: Knysh, Iryna | Kozakiewicz-Piekarz, Anna | Wojtczak, Andrzej | Plażuk, Damian | Baryshnikov, Gleb V. | Valiev, Rashid R. | Nasibullin, Rinat T. | Ågren, Hans | Jacquemin, Denis | Ośmiałowski, Borys | Zaleśny, Robert
Source: Journal of materials chemistry C. 2021. Vol. 9, № 44. P. 15820-15830
Type: статьи в журналах
Date: 2021
Description: We investigate the emission properties of four organic dyes containing a strong electron-donating N(CH3)2 group and an NBF2O-bearing heterocyclic moiety acting as the electron-accepting group. The fou ... More
Add   2-Iodoxybenzoic acid ditriflate: the most powerful hypervalent iodine(V) oxidant
Authors: Soldatova, Natalia S. | Postnikov, Pavel S. | Valiev, Rashid R. | Yoshimura, Akira | Wirth, Thomas | Nemykin, Victor N. | Zhdankin, Viktor V. | Yusubov, Mekhman S.
Source: Chemical сommunications. 2019. Vol. 55, № 54. P. 7760-7763
Type: статьи в журналах
Date: 2019
Description: A ditriflate derivative of 2-iodoxybenzoic acid (IBX) was prepared by the reaction of IBX with trifluoromethanesulfonic acid and characterized by single crystal X-ray crystallography. IBX-ditriflate i ... More
Add   Aromaticity and photophysics of tetrasila- and tetragerma-annelated tetrathienylenes as new representatives of the hetero[8]circulene family
Authors: Valiev, Rashid R. | Cherepanov, Victor N. | Karaush-Karmazin, Nataliya N. | Minaeva, Valentina A. | Minaev, Boris F. | Ågren, Hans | Baryshnikov, Gleb V.
Source: Physical chemistry chemical physics. 2019. Vol. 21, № 18. P. 9246-9254
Type: статьи в журналах
Date: 2019
Description: The electronic structure, absorption and emission spectra, aromaticity and photophysical behavior of the recently synthesized tetrasilatetrathia[8]circulene and tetragermatetrathia[8]circulene compoun ... More
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