Abdullah G. Al-Sehemi

Abdullah M. Asiri

Abul Kalam

Ahmad Irfan

Aijaz R. Chaudhry

Mohammad S. Al-Assiri

Mohd Shkir

Ruifa Jin

Shabbir Muhammad

Comptes Rendus Chimie

Supporting information In depth quantum chemical investigation of electro-optical and charge transport properties of trans-3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile Ahmad Irfana, Abdullah G. Al-Sehemia,b, Shabbir Muhammadc, Aijaz R. Chaudhryc, Mohammad Sultan Al-Assirid,e, Ruifa Jinf, Abul Kalama, Mohd Shkirc, Abdullah M. Asirig a Department of Chemistry, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004,  Saudi Arabia b Research Center for Advanced Materials Science, King Khalid University, Abha 61413, P.O. Box 9004,  Saudi Arabia c Department of Physics, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia d Department of Physics, Faculty of Sciences and Arts, Najran University, P.O. Box 1988, Najran 11001, Saudi Arabia e Promising Centre for Sensors and Electronic Devices (PCSED), Najran University, P.O. Box 1988, Najran 11001, Saudi Arabia f College of Chemistry and Chemical Engineering, Chifeng University, Chifeng 024000, China g Chemistry Department, Faculty of Science and Center of Excellence for Advanced Materials Research, King Abdulaziz University, Jeddah 21589, P.O. Box 80203, Saudi Arabia   TD-CAM-B3LYP-absorption   TD-CAM-B3LYP- fluorescence emission                                                     Corresponding author:  Ahmad Irfan E-mail: irfaahmad@gmail.com Tel.:0096672418632 Fax:0096672418426 TD-LC-BLYP-absorption    TD-LC-BLYP-fluorescence emission   Fig. S1. The absorption and fluorescence emsission spectra calculated at TD-CAM-B3LYP/6-31G** and TD-LC-BLYP/6-31G** levels of theory. 

In-depth quantum chemical investigation of electro-optical and charge-transport properties of <i>trans</i>-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile

https://comptes-rendus.academie-sciences.fr/chimie/article/10.1016/j.crci.2015.05.020/file/attach/mmc1.pdf

In-depth quantum chemical investigation of electro-optical and charge-transport properties of <i>trans</i>-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile

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