The E b value of C 60 -#1 predicted by linear fitting is -6.9583 eV/atom as P 1 equals 0, closely matching the DFT-calculated value of -6.96 eV/atom. Introducing each pentagon-pentagon fusion (thereby incrementing P 1 by 1) results in an energy penalty of 0.0167 eV/atom (0.385 kcal/(mol•atom)) to E b , equivalent to approximately 23.1 kcal/mol for C 60 fullerenes. Our results are in good agreement with the value of 20-25 kcal/mol reported by Sure et al. However, it is essential to note that this linear correlation does not extend consistently across fullerenes with differing sizes (Figure )).