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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