Abstract

The introduction of graph-theoretical structure descriptors represents an important step forward in the research of predictive models in chemistry and falls within the lines of the increasing use of mathematical and computational methods in contemporary chemistry. The basis for these models is the study of the quantitative structure-property and structure-activity relationship. In this paper, we investigate Great rhom-bitrihexagonal which is a kind of dodecagon honeycomb net-work covered by quadrangles and hexagon. Many topological indexes of Great rhom-bitrihexagonal have being investigated, such as sum-connectivity index, atom-bond connectivity index, geometric-arithmetic index, fifth, harmonic index, Randic connectivity index, first Zagreb index, second Zagreb index and the corresponding Zagreb polynomials, modified Zagreb index, fourth atom-bond connectivity index, augmented Zagreb index, hyper-Zagreb index, Sankruti index, forgotten topological index, first multiple Zagreb index, second multiple Zagreb index, as well as derived geometric-arithmetic index, Narumi-Katayama index and modified Narumi-Katayama index.

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