Fig. 1
Optimized structures, DOS, and MEP plots for the allicin molecule, along with C24, B12N12, and Al12N12 nanocages in the gas phase.
Fig. 1 | Scientific Reports
Optimized structures, DOS, and MEP plots for the allicin molecule, along with C24, B12N12, and Al12N12 nanocages in the gas phase.
