Fig. 12
First principles study on the adsorption of Ca on resveratrol surface. The structural formula of resveratrol was obtained A, and the structure of C14H12O3 was optimized to obtain the most stable molecular conformation B. C Five sites (a-e)were selected as the initial positions for to calculate the adsorption energy of Ca on C14H12O3. D The side view and top view of (a) the initial adsorption position of Ca on the geometric structure of C14H12O3 and (b) the equilibrium adsorption position of Ca on the geometric structure of C14H12O3. E The side view (a) and top view of (b) of electronic structure of Ca adsorbed on C14H12O3 surface. Yellow/blue regions indicate charge aggregation/depletion, respectively, and the isosurface measures 0.0013 e/Å3. F The side view (a) and top view of (b) of the equilibrium adsorption position of Ca on the geometric structure of oxalic acid (C2H2O4)