Topological Modeling of C60H36 Hydrides

Cooperative topological accumulation of vacancies in honeycomb lattices

“…non periodic) fragment, carbon atoms along the edges show higher w i values suggesting the approximate proportionality between w i value and relative reactivity. Focusing on this property of the Wiener-weights Eq(2), specific topological invariants targeting the measure of the topological efficiency of G have been introduced [16,17], showing a pivotal role in selecting stable configurations of the chemical system also in presence of defects [14][15][16][17][18].…”

“…Above topological indices are known as topological efficiency index ρ (5) and extreme topological efficiency index ρ E (6) respectively [16,17], and both tend to favor chemical networks with a compact structure built around their minimal sites. TM simulations based on the minimization of topological potential Ξ ρ = ρ and Ξ ρE = ρ E show good correlations with molecular stability data, as demonstrated by extensive studies on C 28 , C 50 , C 66 fullerenes and defective honeycomb layers [11,[14][15][16][17][18].…”