Theoretical Study of Reactions with Electrophones Substitutions: by B3lyp-Dft Density Function Calculation
Density functional theory (DFT), using the B3LYP functional was utilized to study the molecular properties (benzene molecule was a reference) of 1,3,5-Trihydroxybenzene (THB) compound in order to determine the relationship between molecular structure and electrophiles substitutions (nitration) effic...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Unviversity of Technology- Iraq
2014-05-01
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| Series: | Engineering and Technology Journal |
| Subjects: | |
| Online Access: | https://etj.uotechnology.edu.iq/article_102676_f63cbb7214b85f2fd9071fba30dcd49d.pdf |