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1.
Heliyon ; 10(10): e30751, 2024 May 30.
Artigo em Inglês | MEDLINE | ID: mdl-38784547

RESUMO

The concept of the weighted Mostar invariant is a mathematical tool used in chemical graph theory to study the stability of chemical compounds. Several recent studies have explored the weighted Mostar invariant of various chemical structures, including hydrocarbons, alcohols, and other organic compounds. One of the key advantages of the weighted Mostar invariant is that it can be easily computed for large and complex chemical structures, making it a valuable tool for studying the stability of a wide range of chemical compounds. This notion has been utilized to build novel approaches for forecasting chemical compound stability, such as machine learning algorithms. The focus of the paper is to demonstrate the weighted Mostar indices of three specific nanostructures: silicon dioxide (SIO2, poly-methyl methacrylate network (PMMA(s)), and melem chains (MC(h)). The authors seek to provide the findings of their investigation of these nanostructures using the weighted Mostar invariant.

2.
Front Chem ; 9: 693885, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34307297

RESUMO

Topological invariants are the significant invariants that are used to study the physicochemical and thermodynamic characteristics of chemical compounds. Recently, a new bond additive invariant named the Mostar invariant has been introduced. For any connected graph ℋ , the edge Mostar invariant is described as M o e ( ℋ ) = ∑ g x ∈ E ( ℋ ) | m ℋ ( g ) - m ℋ ( x ) | , where m ℋ ( g ) ( or  m ℋ ( x ) ) is the number of edges of ℋ lying closer to vertex g (or x) than to vertex x (or g). A graph having at most one common vertex between any two cycles is called a cactus graph. In this study, we compute the greatest edge Mostar invariant for cacti graphs with a fixed number of cycles and n vertices. Moreover, we calculate the sharp upper bound of the edge Mostar invariant for cacti graphs in ℭ ( n , s ) , where s is the number of cycles.

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