5 results on '"*MOLECULAR orbitals"'
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2. Synthesis, crystal structure, DFT calculations and vibrational properties of 1-(2-bromo-4-(dimethylamino)phenyl)-4-(2-chlorobenzyl)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one.
3. Vibrational and computational analysis for molecular structure properties of N-(2-(trifluoromethyl)phenyl)acetamide: Density functional theory approach.
4. Conformational Behaviors of 2-Substituted Cyclohexanone Oximes: An AB Initio, Hybrid Dft Study, and NBO Interpretation.
5. Experimental and Ab Initio Computational Studies on 4-(Benzhydryloxy)phthalonitrile.
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