Электронная библиотека (репозиторий) Томского государственного университета
ароматические свойства | Fliegl, Heike

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Add   Theoretical studies as a tool for understanding the aromatic character of porphyrinoid compounds
Authors: Valiev, Rashid R. | Pichierri, Fabio | Sundholm, Dage | Fliegl, Heike
Source: Chemical modelling. Cambridge, 2018. Vol. 14. P. 1-42
Type: статьи в сборниках
Date: 2018
Description: The present review gives an overview over different theoretical approaches to study the aromaticity of porphyrins and porphyrin based compounds with the focus on magnetically induced current densities ... More
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
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