New insights into aromatic pathways of carbachlorins and carbaporphyrins based on calculations of magnetically induced current densities

New insights into aromatic pathways of carbachlorins and carbaporphyrins based on calculations of magnetically induced current densities

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 magnetically induced current (GIMIC) method. Aromatic properties have been determined by using accurate numer...

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Bibliographic Details
Published in:Physical chemistry chemical physics Vol. 18, № 17. P. 11932-11941
Other Authors: Benkyi, Isaac, Valiev, Rashid R., Sundholm, Dage, Fliegl, Heike
Format: Article
Language:English
Subjects:
карбахлорины
карбапорфирины
ароматические свойства
статьи в журналах
Online Access:http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000575404
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