Электронная библиотека (репозиторий) Томского государственного университета
ароматичность

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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   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
Add   Impact of heteroatoms (S, Se, and Te) on the aromaticity of heterocirculenes
Authors: Baryshnikov, Gleb V. | Valiulina, Lenara I. | Valiev, Rashid R. | Ågren, Hans | Minaev, Boris F. | Karaush-Karmazin, Nataliya N.
Source: New journal of chemistry. 2019. Vol. 43, № 30. P. 12178-12190
Type: статьи в журналах
Date: 2019
Description: A series of thia[7]circulenes and novel Se-, Te-, S/Te-, and Se/Te-substituted [8]circulenes have been studied by calculations of nucleus-independent chemical shift indices and gauge including magneti ... More
Add   Aromaticity of the doubly charged [8]circulenes
Authors: Baryshnikov, Gleb V. | Karaush, Nataliya N. | Sundholm, Dage | Minaev, Boris F. | Valiev, Rashid R.
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
Add   Aromaticity of the completely annelated tetraphenylenes: NICS and GIMIC characterization
Authors: Baryshnikov, Gleb V. | Valiev, Rashid R. | Minaev, Boris F. | Karaush, Nataliya N.
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
Add   Electronic structure, aromaticity and spectra of hetero[8]circulenes
Authors: Baryshnikov, Gleb V. | Minaev, Boris F. | Minaeva, Valentina A.
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
Add   Aromaticity of the planar hetero[8]circulenes and their doubly charged ions: NICS and GIMIC characterization
Authors: Baryshnikov, Gleb V. | Karaush, Nataliya N. | Minaev, Boris F. | Valiev, Rashid R.
Source: Physical chemistry chemical physics. 2014. Vol. 16. P. 15367-15374
Type: статьи в журналах
Date: 2014
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