M.Phil / MS

Permanent URI for this collectionhttps://repository.cuilahore.edu.pk/handle/123456789/52

This collection archives the complete set of theses produced by students of the COMSATS University Islamabad, Lahore Campus.

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Subject: search.filters.subject.Chemical Graphs

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Now showing 1 - 4 of 4
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    Topological Indices of Boron Nano Tubes and Some Chemical Graphs
    (Library Information Services, COMSATS University Islamabad, Lahore Campus, 2021) HAFIZ MUHAMMAD ASIF MEHMOOD; CIIT/FA19-RMT-114/LHR; Dr. Hani Shaker; LHR TP 7438
    The goal of this research study is to discuss some degree based topological descriptors of molecular graphs of (Boron Nano Tubes) by the assistance of fundamental ideas of graph theory. Using different terminologies we will calculate degree-based topological indices like “Gourava Indices”, “Shigehalli and Kanabur Indices”, “Sanskruti Index” of Boron Nano Tubes and also find some multiplicative version of above discussed topological indices of different molecular graphs.
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    Topological Indices On Chemical Graphs
    (Library Information Services, COMSATS University Islamabad, Lahore Campus, 2019) Tayyaba Razzaq; SP16-RMT-002; Dr. Muhammad Hussain; LHR TP 5345
    Topological index is a numeric parameter which describe some silent features (con nectivity, boiling point, stability and melting point) of a Molecular graph representing some chemical compounds. These indices characterize topology and are usually hold mathematical properties of Graph invariant.The process of transforming chemical information of chemical molecules into useful numerical results is known as molec ular descriptor. These molecular descriptors are extensively used in the study of Quantitative structure-activity relationships (QSARs) which give insight to the bio logical properties based upon chemical structures. We will investigate R˜andic indices Rλ(G), where λ ∈ R. First, second and third Z˜agreb indices, First and second Z˜agreb Polynomials, Multi Z˜agreb indices, Atom bond connectivity ABC index, Geometric arithmetic GA index, fourth version of ABC index, Harmonic index and fifth version of GA index to estimate biological properties of chemical graphs
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    Evaluation of Sombor Energy and Sombor Index of Certain Chemical Graphs
    (Library Information Services COMSATS University Lahore Campus, 2024-03-17) Naila Kousar; FA22-RMT-053; Dr.Hafiz M.Afzal Saddiqui; LHR TP 9348
    The Sombor matrix is naturally associated with the Sombor index, which is a vertex-degree based topological index.This thesis computes and interprets the Sombor Energy and the Sombor Index, two important graph theory metrics that impact molecular chemistry and network resilience . The total of the absolute values of the Sombor matrix’s eigenvalues is the Sombor energy. Chemical graphs, which provide information on the make-up, traits, stability, and behaviour of molecules, serve as the foundation for assessing the Energy Index . In this thesis, we present the computational results for Sombor index and Sombor energy for Metal Organic Networks, combining ideas from graph theory and chemistry to improve our understanding of the energy properties and structural robustness of MONp .
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    Zagreb Connection Numbers of Different Chemical Graphs
    (Library Information Services, COMSATS University Islamabad, Lahore Campus, 2020) ASAD ZUBAIR; FA18-RMT-051; LHR TP 6029; Dr. Muhammad Hussain
    Topological indices are real numerical parameters of a molecular structural networks and structural networks. These networks are characterize its topology and graph invariant. The molecular networks plays a vital role in QSAR/QSPR study, phisco-chemical properties and topological indices like Randic, atom-bond connectivity(ABC) and geometric-arithmetic(GA) are used to diagnose the bioactivity of chemical compounds. Actually these topological indices is designed by transforming a chemical structure into a numeric number. In the area of research, graph theory has been found to be very useful. In this thesis, we will compute the connection based topological indices the so-called first Zagreb connection index, second Zagreb connection index and first modified Zagreb connection index of Honeycomb Network, Linegraph of Honeycomb Network, Line graph of subdivision of Honeycomb Network Triangular Benezenoid Network,line graph of sub-division of Triangular Benezenoid Network and Hourglass system. This study will give us a very interesting and different results by using new topological index that is first Zagreb, second Zagreb, first modified Zagreb connection index.
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