Электронная библиотека (репозиторий) Томского государственного университета
теория функционала плотности | Sundholm, Dage

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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   Insights into magnetically induced current pathways and optical properties of isophlorins
Authors: Valiev, Rashid R. | Fliegl, Heike | Sundholm, Dage
Source: The Journal of Physical Chemistry A. 2013. Vol. 117, № 37. P. 9062-9068
Type: статьи в журналах
Date: 2013
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