scholarly journals Predicting the degree of aromaticity of novel carbaporphyrinoids

2015 ◽  
Vol 17 (21) ◽  
pp. 14215-14222 ◽  
Author(s):  
Rashid R. Valiev ◽  
Heike Fliegl ◽  
Dage Sundholm

Magnetically induced current densities have been calculated for dioxaporphyrin, dithiaporphyrin, true carbaporphyrins, and N-confused porphyrins using the gauge-including magnetically induced current (GIMIC) method.

2018 ◽  
Vol 20 (48) ◽  
pp. 30239-30246 ◽  
Author(s):  
R. R. Valiev ◽  
G. V. Baryshnikov ◽  
D. Sundholm

Magnetically induced current densities have been calculated at the second-order Møller–Plesset perturbation theory (MP2) level for seven hetero[8]circulenes and their dicationic and dianionic forms.


2019 ◽  
Vol 21 (13) ◽  
pp. 7105-7114 ◽  
Author(s):  
Slađana Đorđević ◽  
Slavko Radenković

Magnetically induced current densities reveal the double aromatic character of the examined Be–B clusters.


2016 ◽  
Vol 18 (23) ◽  
pp. 15934-15942 ◽  
Author(s):  
Dage Sundholm ◽  
Raphael J. F. Berger ◽  
Heike Fliegl

The aromatic pathway of molecules with annelated aromatic and antiaromatic rings has been studied by calculating magnetically induced current densities.


2008 ◽  
Vol 600-603 ◽  
pp. 1211-1214 ◽  
Author(s):  
Stanislav I. Soloviev ◽  
Peter M. Sandvik ◽  
Alexey Vertiatchikh ◽  
K. Dovidenko ◽  
Ho Young Cha

In this work, we observed and investigated electro-luminescence (EL) from defects in 4H-SiC avalanche photodiodes. The EL irradiance originated from parallel lines oriented along the [11-20] crystallographic direction. Optical microscopy imaging was employed to analyze the intensity distribution of luminescencing lines at different current densities. Electron beam induced current (EBIC) methodology was employed to find correlation between the luminescencing defects and dislocations in the epi-layers. TEM analysis of the substrate region having the brightest luminescencing line was performed. There were a few defects at the depth of about 3 μm from the sample surface where EL intensity had the highest value.


Sign in / Sign up

Export Citation Format

Share Document