Research Article
DFT Calculations and Molecular Docking Studies on a Chromene Derivative
Figure 2
The molecular structure of Chrom-D (a) shown at 50% ellipsoid probability and (b) optimized at the B3LYP/6-311++G(d,p) level of theory along with numbering of atoms (A and B denote the pyran rings; C and D denote the phenyl rings).
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