Электронная библиотека (репозиторий) Томского государственного университета
Sundholm, Dage | 2022 | ароматичность

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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
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