Journal of Chemistry (Jan 2021)
On Ve-Degree-Based Irregularity Properties of the Crystallographic Structure of Molecules
Abstract
Irregularity indices are usually used for quantitative characterization of the topological structure of nonregular graphs. In numerous applications and problems in material engineering and chemistry, it is useful to be aware that how irregular a molecular structure is? In this paper, we are interested in formulating closed forms of irregularity measures of some of the crystallographic structures of Cu2Op,q,r and crystallographic structure of titanium difluoride of TiF2p,q,r. These theoretical conclusions provide practical guiding significance for pharmaceutical engineering and complex network and quantify the degree of folding of long organic molecules.