Department of Mathematics

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Author: search.filters.author.Dr. Muhammad Kamran SiddiquiSubject: search.filters.subject.FA22

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    On Physical Analysis of Topological Indices for Palladium Selenide Crystals
    (Library Information Services COMSATS University Lahore Campus, 2024-03-17) Muhammad Aleem; FA22-RMT-023; Dr. Muhammad Kamran Siddiqui; LHR TP 9336
    The use of graph theory in many fields of study has increased significantly, especially in the field of chemical graph theory. Many scholars have been able to explore a range of new directions in the last few years. A chemical graph is a named graph in which the atoms of a compound are represented at the vertices, and the edges represent chemical bonds between atoms. Determining various physical and chemical properties of the molecular structures under study requires an examination of topological indices. Firstly, we focused on degree-based topological indices, namely the Randic index, atom bond connectivity in dex, geometric arithmetic index, the first and the second Zagreb indices and co-indices, the first and the second multiple Zagreb indices and co-indices, hyper Zagreb index, for gotten index, augmented Zagreb index, Balaban index, redefined Zagreb type indices, of Palladium Selenide Crystals PdSe2. Further, we gave graphical representations of these in dices. These mathematical frameworks might provide a way to study the thermo dynamical properties of the chemical structure of Palladium Selenide Crystals PdSe2.
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    On Topological Aspects of Molecular Graph of Iron Telluride
    (Library Information Services COMSATS University Lahore Campus, 2024-03-17) Hira Ahmed; FA22-RMT-025; Dr. Muhammad Kamran Siddiqui; LHR TP 9337
    The use of graph theory to many fields of study has increased significantly, especially in the field of chemical graph theory. Many scholars have been able to explore a range of new directions in the last few years. A chemical graph is a named graph in which the atoms of a compound are represented at the vertices, and the edges represent chemical bonds between atoms. Determining various physical and chemical properties of the molecular structures under study requires an examination of topological indices. Firstly, we focused on degree based topological indices, namely Randic index, atom bond connectivity index, geomet ric arithmetic index, the first and the second Zagreb indices and co-indices, the first and the second multiple Zagreb indices and co-indices, hyper Zagreb index, forgotten index, augmented Zagreb index, Balaban index, redefined Zagreb type indices, of Iron Telluride Network FeTe2. Afterwards, we found the physical measures like heat of formation of Iron Telluride Network FeTe2. Then, we fitted curves between different indices and corre sponding heat of formation. Curve fitting was done in MATLAB through different methods based on linearity and non-linearity. The performance of the method was tested using mean squared error (MSE), the sum of squared errors (SSE) or R 2 . Further, we gave graphical representations of these indices. These mathematical frameworks might provide a way to study the thermo dynamical properties of the chemical structure Iron Telluride Network FeTe2.
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    A Comparative Study of Topological Descriptors for Benzyl Sulfamoyl Network
    (Library Information Services COMSATS University Lahore Campus, 2024-03-14) Ayesha Maqbool; FA22-RMT-043; Dr. Muhammad Kamran Siddiqui; LHR TP 9358
    The use of graph theory to many fields of study has increased significantly, especially in the field of chemical graph theory. Many scholars have been able to explore a range of new directions in the last few years. A chemical graph is a named graph in which the atoms of a compound are represented at the vertices, and the edges represent chemical bonds between atoms. Determining various physical and chemical properties of the molecular structures under study requires an examination of topological indices. Firstly, we focused on degree based topological indices, namely Randic index, atom bond connectivity index, geomet ric arithmetic index, the first and the second Zagreb indices and co-indices, the first and the second multiple Zagreb indices and co-indices, hyper Zagreb index, forgotten index, augmented Zagreb index, Balaban index, redefined Zagreb type indices, of Benzyl Sul famoyl Network BSb. Afterwards, we found the physical measures like heat of formation of Benzyl Sulfamoyl Network BSb. Then, we fitted curves between different indices and corresponding heat of formation. Curve fitting was done in MATLAB through different methods based on linearity and non-linearity. The performance of the method was tested using mean squared error (MSE), the sum of squared errors (SSE) or R 2 . Further, we gave graphical representations of these indices. These mathematical frameworks might provide a way to study the thermo dynamical properties of the chemical structure Benzyl Sulfamoyl Network BSb.
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    On Degree baesed Topological Indices for Molybdenum Telluride Network
    (Library Information Services COMSATS University Lahore Campus, 2024-03-14) Sehrish Hina; FA22-RMT-019; Dr. Muhammad Kamran Siddiqui; LHR TP 9361
    The use of graph theory to many fields of study has increased significantly, especially in the field of chemical graph theory. Many scholars have been able to explore a range of new directions in the last few years. A chemical graph is a named graph in which the atoms of a compound are represented at the vertices, and the edges represent chemical bonds between atoms. Determining various physical and chemical properties of the molecular structures under study requires an examination of topological indices. Firstly, we focused on degree based topological indices, namely Randic index, atom bond connectivity index, geometric arithmetic index, the first and the second Zagreb indices and co-indices, the first and the second multiple Zagreb indices and co-indices, hyper Zagreb index, forgotten index, aug mented Zagreb index, Balaban index, redefined Zagreb type indices, of Molybdbdenum Telluride Network MoTe2
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    Computing Degree Based Topological Indices for Zinc Selenide
    (Library Information Services COMSATS University Lahore Campus, 2024-03-14) Saba Karam; FA22-RMT-020; Dr. Muhammad Kamran Siddiqui; LHR TP 9364
    The use of graph theory to many fields of study has increased significantly, especially in the field of chemical graph theory. Many scholars have been able to explore a range of new directions in the last few years. A chemical graph is a named graph in which the atoms of a compound are represented at the vertices, and the edges represent chemical bonds between atoms. Determining various physical and chemical properties of the molecular structures under study requires an examination of topological indices. Firstly, we focused on degree based topological indices, namely Randic index, atom bond connectivity index, geomet ric arithmetic index, the first and the second Zagreb indices and co-indices, the first and the second multiple Zagreb indices and co-indices, hyper Zagreb index, forgotten index, augmented Zagreb index, Balaban index, redefined Zagreb type indices, of zinc selenide Network ZnSe. Afterwards, we found the physical measures like heat of formation of zinc selenide Network ZnSe. Then, we fitted curves between different indices and corre sponding heat of formation. Curve fitting was done in MATLAB through different methods based on linearity and non-linearity. The performance of the method was tested using mean squared error (MSE), the sum of squared errors (SSE) or R 2 . Further, we gave graphical representations of these indices. These mathematical frameworks might provide a way to study the thermo dynamical properties of the chemical structure zinc selenide Network ZnSe2.