A fast approximate algorithm for determining bond orders in large polycyclic structures

Autor: Trepalin, Sergey a, ∗, Gurke, Sasha b, Akhukov, Mikhail c, Knizhnik, Andrey c, Potapkin, Boris c
Zdroj: In Journal of Molecular Graphics and Modelling January 2019 86:52-65
Databáze: ScienceDirect