Ibahim Abdulsalaami
Department of Chemical Sciences, Industrial and Environmental Chemistry Unit, Fountain University, P.M.B 4491, Osogbo
[ 1 ] - 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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