Aromatic pathways in carbathiaporphyrins
Magnetically induced current densities and current pathways have been calculated for carbaporphyrins and carbathiaporphyrins using the gauge including magnetically induced current (GIMIC) method. The aromatic character and current pathways are obtained from the calculated current density susceptibil...
Published in: | The Journal of Physical Chemistry A Vol. 119, № 7. P. 1201-1207 |
---|---|
Main Author: | Valiev, Rashid R. |
Other Authors: | Fliegl, Heike, Sundholm, Dage |
Format: | Article |
Language: | English |
Subjects: | |
Online Access: | http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000569901 Перейти в каталог НБ ТГУ |
Similar Items
-
Predicting the degree of aromaticity of novel carbaporphyrinoids
by: Valiev, Rashid R. - New insights into aromatic pathways of carbachlorins and carbaporphyrins based on calculations of magnetically induced current densities
- Impact of heteroatoms (S, Se, and Te) on the aromaticity of heterocirculenes
- Aromaticity of the doubly charged [8]circulenes
- Aromaticity of the planar hetero[8]circulenes and their doubly charged ions: NICS and GIMIC characterization