Litcius/Paper detail

Importance of solvents role in molecular and electronic properties, DFT, spectroscopic, electron-hole transition, chemical reactivity, topology and molecular docking investigations of (±)-2-(2-{4-[(4-chlorophenyl)-phenylmethyl] piperazin-1-yl} ethoxy)ethanol

Abdelfattah Cherif

2023Journal of Molecular Liquids14 citationsDOI

Topics & Concepts

ChemistryNatural bond orbitalDihedral angleBasis setComputational chemistryElectron localization functionMoleculeMolecular orbitalHOMO/LUMOIntermolecular forcePhthalimideDensity functional theoryTopology (electrical circuits)Physical chemistryHydrogen bondElectronOrganic chemistryPhysicsCombinatoricsMathematicsQuantum mechanicsNonlinear Optical Materials ResearchFree Radicals and AntioxidantsSynthesis and biological activity
Importance of solvents role in molecular and electronic properties, DFT, spectroscopic, electron-hole transition, chemical reactivity, topology and molecular docking investigations of (±)-2-(2-{4-[(4-chlorophenyl)-phenylmethyl] piperazin-1-yl} ethoxy)ethanol | Litcius