Электронная библиотека (репозиторий) Томского государственного университета
статьи в журналах | Fliegl, Heike

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Add   New insights into aromatic pathways of carbachlorins and carbaporphyrins based on calculations of magnetically induced current densities
Authors: Benkyi, Isaac | Valiev, Rashid R. | Sundholm, Dage | Fliegl, Heike
Source: Physical chemistry chemical physics. 2016. Vol. 18, № 17. P. 11932-11941
Type: статьи в журналах
Date: 2016
Description: Magnetically induced current densities have been calculated and analyzed for a number of synthesized carbachlorins and carbaporphyrins using density functional theory and the gauge including magnetica ... More
Add   Aromatic pathways in carbathiaporphyrins
Authors: Valiev, Rashid R. | Fliegl, Heike | Sundholm, Dage
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
Add   Predicting the degree of aromaticity of novel carbaporphyrinoids
Authors: Valiev, Rashid R. | Fliegl, Heike | Sundholm, Dage
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
Add   The aromatic character of thienopyrrole-modified 20π-electron porphyrinoids
Authors: Valiev, Rashid R. | Fliegl, Heike | Sundholm, Dage
Source: Physical chemistry chemical physics. 2014. Vol. 16. P. 11010-11016
Type: статьи в журналах
Date: 2014
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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