Litcius/Paper detail

On topological descriptors of ceria oxide and their applications

Muhammad Kamran Siddiqui, Yu‐Ming Chu, Muhammad Nasir, Muhammad Faisal Nadeem, Muhammad Farhan Hanif

2021Main Group Metal Chemistry16 citationsDOIOpen Access PDF

Abstract

Abstract A topological descriptor is a mathematical illustration of a molecular construction that relates particular physicochemical properties of primary molecular structure as well its mathematical depiction. Topological co-indices are usually applied for quantitative structure actions relationships (QSAR) and quantitative structures property relationships (QSPR). Topological co-indices are topological descriptors which are considered the noncontiguous vertex set. We study the accompanying some renowned topological co-indices: first and second Zagreb co-indices, first and second multiplicative Zagreb co-indices and the F-coindex, and some other degree-based indices of the co-indices of ceria oxide.

Topics & Concepts

Quantitative structure–activity relationshipMultiplicative functionTopological indexTopology (electrical circuits)ChemistryVertex (graph theory)Molecular descriptorOxideComputational chemistryMathematicsCombinatoricsStereochemistryOrganic chemistryMathematical analysisGraphGraph theory and applicationsComputational Drug Discovery MethodsFree Radicals and Antioxidants