articleColloids and Surfaces A Physicochemical and Engineering AspectsJan 14, 2022Closed access

Quantum computational, spectroscopic investigations on N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with different solvents, molecular docking and drug-likeness researches

NDNecmi DegeHGHalil GökçeOEOnur Erman DoĝanGAGökhan AlpaslanTATuğgan Ağar

Ondokuz Mayıs University · Giresun University · +2 more institutions

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381
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21.80
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100%
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7

Topics & keywords

Topics
Keywords
  • Density functional theory
  • Chemistry
  • Molecule
  • Computational chemistry
  • Basis set
  • HOMO/LUMO
  • Carbon-13 NMR
  • Lipinski's rule of five
UN Sustainable Development Goals
  • Affordable and clean energy
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