On Computation and Analysis of Entropy Measures for Crystal Structures

摘要

In recent years, the study of topological indices associated to different molecular tubes and structures gained a lot of attention of the researchers—working in Chemistry and Mathematics. These descriptors play an important role in describing different properties associated to the objects of study. Moreover, Shannon’s entropy concept—a slightly different but more effective approach—provides structural information related to the molecular graphs. In this article, we have computed and analyzed different entropy measures associated to different crystallographic structures. In particular, we have worked on the Zagreb entropies, hyper and augmented Zagreb entropies, and forgotten and Balaban entropies for the crystallographic structures of the cuprite and titanium difluoride .