Effect of π-conjugated molecules on electronics properties of benzene-diamine derivatives
The present work shows a theoretical results that have been used the functional Hybrid of three parameters Lee-Yang-Parr (B3LYP) of the quantum mechanical approach for density functional theory with (Spanish Initiative for Electronic Simulations with Thousands of Atoms) SIESTA code. All calculations...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
University of Baghdad
2021-09-01
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| Series: | Iraqi Journal of Physics |
| Subjects: | |
| Online Access: | https://ijp.uobaghdad.edu.iq/index.php/physics/article/view/658 |