Ala HSSAIN

DFT modelling studies of spectroscopic properties and Medium Effects on Molecular Reactivity of Secnidazole in different solvents

DFT modelling studies of spectroscopic properties and Medium Effects on Molecular Reactivity of Secnidazole in different solvents

Journal of Physical Chemistry and Functional Materials

2022-Cilt: 5 - Sayı: 1

69-83

Secnidazole, DFT, C13 and H1 NMR, FT-IR, UV-Vis, Solvation free energy, SMD Model, Dipole moment, Polarizability

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