M. D. Adeoye
Industrial and Environmental Unit, Department of Chemical Sciences, College of Natural and Applied Sciences. Fountain University, P.M.B 301 IREE Osogbo.
[ 1 ] - Theoretical Studies of Solvent Effects on the Electronic Properties of 1, 3-Bis [(Furan-2-yl) Methylene] Urea and Thiourea
The synthesis and characterization of 1, 3-bis [(furan-2-yl) methylene] urea (BFMU) and 1, 3-bis [furan-2-yl) methylene] thiourea (BFMT) have been reported by our research team. The effects of solvents polarity on their electronic transition energies (HOMO-LUMO) and associated qualitative structure activity relationship parameters (i.e. log P, ionization energies and global hardness) were inves...
[ 2 ] - Effect of Solvent polarities on the molecular properties of 2-(2-nitrovinyl) furan
This study investigated the effects of solvents’ polarities on the geometry and electronic properties of 2-(2-nitrovinyl) furan, (NVF). The investigation was carried via theoretical approach, using an ab-initio [Hartree Fock (HF/6-31G*)] and Density Functional Theory (DFT/B3LYP/6-31G*).The properties investigated are optimized structures, energy gaps (ELUMO – EHOMO) and as...
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