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

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Source: Physical chemistry chemical physics. 2022. Vol. 24, № 3. P. 1666-1674
Type: статьи в журналах
Date: 2022
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
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
Source: The Journal of Physical Chemistry A. 2015. Vol. 119, № 7. P. 1201-1207
Type: статьи в журналах
Date: 2015
Description: Magnetically induced current densities and current pathways have been calculated for carbaporphyrins and carbathiaporphyrins using the gauge including magnetically induced current (GIMIC) method. The ... More
Source: Physical chemistry chemical physics. 2015. Vol. 17, № 21. P. 14215-14222
Type: статьи в журналах
Date: 2015
Description: Magnetically induced current densities have been calculated for dioxaporphyrin, dithiaporphyrin, true carbaporphyrins, and N-confused porphyrins using the gauge-including magnetically induced current ... More
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