Density Functional Theory Investigation on The Electronic Structure, Properties and IR Spectra of 9,10-Iphenylanthracene

9,10-Diphenylanthracene belong to a class of polymer-based materials featuring a π-bonded molecules (organic semiconductors). We conducted a theoretical investigation into 9,10-DPA in both neutral and ionic states using Density Functional Theory (DFT) implemented in the Gaussian 09 package. The calc...

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Bibliographic Details

Published in:	International Journal of Applied Sciences and Smart Technologies
Main Authors:	Owolabi J Adeyemi, Hassan Gambo, Onimisi M Yusuf, Gidado S Abdulkadir, Ali Haruna, Bankole J Akinade, Akusu C Onma, Muhammed L Madugu, Sakinat L Usman
Format:	Article
Language:	English
Published:	Universitas Sanata Dharma 2024-12-01
Online Access:	https://e-journal.usd.ac.id/safe/index.php/IJASST/article/view/8686