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

Authors: Baryshnikov, Gleb V. | Valiev, Rashid R. | Minaev, Boris F. | Karaush, Nataliya N.

Source: Journal of molecular modeling. 2015. Vol. 21, № 6. P. 136 (1-9)

Type: статьи в журналах

Date: 2015

Description: A series of heterocyclic and hydrocarbon [8]circulenes (also named completely annelated tetraphenylenes) were studied by the NICS and GIMIC methods in order to describe their aromatic properties from ... More

Authors: Baryshnikov, Gleb V. | Minaev, Boris F. | Minaeva, Valentina A.

Source: Russian chemical reviews. 2015. Т. Vol. 84, № 5. С. P. 455-484

Type: статьи в журналах

Date: 2015

Description: The present review highlights recent advances in experimental and theoretical chemistry dealing with investigation of the electronic structures and physicochemical properties of hetero[8]circulenes. T ... More

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