Litcius/Paper detail

Face index of nanotubes and regular hexagonal lattices

Sheng Ding, Muhammad Imran Qureshi, Syed Fehmeed Shah, Asfand Fahad, Muhammad Kamran Jamil, Jia‐Bao Liu

2021International Journal of Quantum Chemistry15 citationsDOI

Abstract

Abstract The interdependency of the molecular structures of drugs and their biomedical characteristics have already been proved by lab experiments. We can approximate these characteristics by computing numerical invariants associated to their molecular structures. These invariants are called topological indices. Among many topological indices, the face index (FI) is defined most recently. The FI may be helpful in approximating the boiling point and π ‐electron energy of benzenoid hydrocarbons and some other drugs with the correlation coefficient . In this article, we compute the FI for Boron triangular nanotubes, the nanotubes and , Also compute the FI for quadrilateral sections cut from regular hexagonal lattice and .

Topics & Concepts

Topological indexHexagonal crystal systemQuadrilateralBoiling pointFace (sociological concept)Lattice (music)Hexagonal latticeHexagonal tilingPoint (geometry)MathematicsCombinatoricsMaterials scienceTopology (electrical circuits)PhysicsTheoretical physicsStatistical physicsCondensed matter physicsChemistryGeometryCrystallographyThermodynamicsAntiferromagnetismFinite element methodAcousticsSociologySocial scienceGraph theory and applicationsSynthesis and Properties of Aromatic CompoundsComputational Drug Discovery Methods