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Hadigheh Rezvan on Muck Rack

Hadigheh Rezvan

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DFT computational study of optical properties for bis-Schiff bases of 8-aminoquinoline derivatives and furan-2, 3-di-carbaldehyde - Structural Chemistry

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By Islamic Azad, Payame Noor, Hadigheh Rezvan, Ardabil Branch
| link.springer.com
Abstract Optimization of nine bis-Schiff bases derived from 5-substituted-8-aminoquinoline (I) and furan-2, 3-di-carbaldehyde (II) molecules was performed using density functional theory (DFT) in B3LYP/6-311G++ (d, p) level of theory and based on the optimized structures, structural parameters, dipole moments, as well as frontier molecular orbitals of the desired bis-Schiff bases (III) were calculated.
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