Assessment of the performance of six indices in predicating the aromaticity of planar porphyrinoids - Ding, Wenjing; Zhang, Zhan; Chen, Xi; Zhan, Chang-guo (Journal of molecular modeling, 2023)
Keywords: Anisotropy; Aromaticity; Characterization and Evaluation of Materials; Chemistry; Chemistry and Materials Science; Computer Appl. in Life Sciences; Computer Applications in Chemistry; computer software; Density functional theory; Harmonic oscillators; Heterocyclic compounds; magnetic fields; Magnetic properties; Metal clusters; Molecular Medicine; Molecular structure; NMR; Nuclear magnetic resonance; Original Paper; Porphyrins; prediction; Theoretical and Computational Chemistry; Topology; Porphyrinoids; AICD; MCBO; TIMF; HOMA; Aromaticity indices; NICS; GIMIC