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Abstract Steviol is a main core-structure of the glycosides in Stevia Rebaudiana. The geometry optimization is carried out for steviol using the B3LYP with 6–311++G (d,p) basis set. The complete… Click to show full abstract
Abstract Steviol is a main core-structure of the glycosides in Stevia Rebaudiana. The geometry optimization is carried out for steviol using the B3LYP with 6–311++G (d,p) basis set. The complete structural analysis such as electronic characterization, HOMO and LUMO, DOSs, Molecular Electronic Potential (MEP), contour map, Natural Bond Orbital (NBO) as well as NMR, UV–Vis and IR assignments are performed and discussed with details for mentioned molecule.
Keywords:
steviol;
steviol dft;
analysis steviol;
full structural;
structural analysis
Journal Title: Journal of Molecular Structure
Year Published: 2018
Link to full text (if available)
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Journal Title: Journal of Molecular Structure
Year Published: 2018
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!