Research Article
Isolation, Identification, Molecular and Electronic Structure, Vibrational Spectroscopic Investigation, and Anti-HIV-1 Activity of Karanjin Using Density Functional Theory
Table 6
Calculated , , energy band gap (), chemical potential (), electronegativity (), global hardness (), global softness (), and global electrophilicity index () for Karanjin at B3LYP/6-311G (d, p) level.
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