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Face index of nanotubes and regular hexagonal lattices
Author(s) -
Ding Sheng,
Qureshi Muhammad Imran,
Shah Syed Fehmeed,
Fahad Asfand,
Jamil Muhammad Kamran,
Liu JiaBao
Publication year - 2021
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.26761
Subject(s) - topological index , hexagonal crystal system , quadrilateral , boiling point , face (sociological concept) , lattice (music) , hexagonal lattice , hexagonal tiling , point (geometry) , mathematics , combinatorics , materials science , topology (electrical circuits) , physics , theoretical physics , statistical physics , condensed matter physics , chemistry , geometry , crystallography , thermodynamics , social science , finite element method , sociology , antiferromagnetism , acoustics
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 r > .99 . In this article, we compute the FI for Boron triangular nanotubes, the nanotubes V C 5 V 7p , qand H C 5 C 7p , q , Also compute the FI for quadrilateral sections cut from regular hexagonal lattice P m n and P m + 1 / 2 n .