Molecular Docking and Comparative Vibrational Spectroscopic Analysis, HOMO-LUMO, Polarizabilities, and Hyperpolarizabilities of N-(4-Bromophenyl)-4-Nitrobenzamide by Different DFT (B3LYP, B3PW91, and MPW1PW91) Methods
Author:
Affiliation:
1. Department of Physics, Marwar Business School, Gorakhpur, India;
2. Department of Physics, Lucknow University, Lucknow, India
Publisher
Informa UK Limited
Subject
Materials Chemistry,Organic Chemistry,Polymers and Plastics
Link
https://www.tandfonline.com/doi/pdf/10.1080/10406638.2019.1591466
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3. Synthesis and microbiological activity of some N-(2-hydroxy-4-substitutedphenyl)benzamides, phenylacetamides and furamides as the possible metabolites of antimicrobial active benzoxazoles
4. Vibrational spectroscopic studies and DFT calculations of 4-fluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
5. The molecular structure and vibrational spectra of 2-chloro-N-(diethylcarbamothioyl)benzamide by Hartree–Fock and density functional methods
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