Graph derivative indices interpretation from the quantum mechanics perspective

Abstract This contribution examines the interpretation of Graph Derivative Indices (GDIs) from Quantum Mechanics (QM) perspective and its relation with Hückel molecular orbital (HMO) method. The different elements used for calculating Discrete Derivatives over atom-pairs are related to QM integrals appearing in Determinant. between Coulomb Resonance Integrals was estimated by topological way quantitative values resonance energies were calculated. Some GDI calculations performed aromaticity, expressing frequencies as probabilities. Starting performed. There is possibility It allows explaining atypical formation cyclobutadiene entropic point view. Considering this hypothesis, experimental 14 molecules correlated GDI-topological same structures. Taking into consideration regularity coherence stablished experiments GDIs, it possible assure that GDIs have interpretations terms.