Shahid Rajaee Teacher Training UniversityJournal of Discrete Mathematics and Its Applications2981-08097420221201On the distance matrix of an infinite class of fullerene graphs173184194010.22061/jdma.2022.1940ENMinaRajabi-ParsaLecturer at the Department of Mathematics, Farhangian University, Tehran, Iran
I. R. IranMohammad JavadEslampourDepartment of Mathematics, Faculty of Science, Shahid Rajaee Teacher Training University,
Tehran, 16785 -163, I. R. IranJournal Article20221025Let G be a graph, the distance d(u,v) between two vertices u and v of G is the minimum<br />length of the paths connecting them. The aim of this paper is computing the distance matrix of infinite familiy of fullerene graph A10n.https://jdma.sru.ac.ir/article_1940_c5140e3a23a0aaa53ca79daccfa73c99.pdfShahid Rajaee Teacher Training UniversityJournal of Discrete Mathematics and Its Applications2981-08097420221201Atom bond connectivity temperature index of certain nanostructures18519384610.22061/jdma.2022.846ENAfework TekaKahsayDepartment of Mathematics, Mangalore university, MangalagangothriKishoriNarayankarDepartment of Mathematics, Mangalore University, MangalagangothriDicksonSelvanDepartment of Mathematics, Mangalore University, MangalagangothriJournal Article20221024In the study of QSPR/QSAR, topological indices such as Zagreb index, Randic index, atom-bond connectivity index are exploited to estimate the bioactivity of chemical compounds. Inspired by many degree based topological indices, we propose here a new topological index, called the Atom Bond Connectivity temperature index ABCT(G) of a molecular graph G, which shows good correlation with entropy, acentric factor, enthalpy of vaporization and standard enthalpy of vaporization of an octane isomers. In this paper we compute the Atom Bond Connectivity temperature index ABCT(G) of line graphs of subdivision graphs of 2D-lattice, nanotube and nanotorus of TUC_4 C_8 [p,q].https://jdma.sru.ac.ir/article_846_ac188dafffa5d9214ccc5b59dabbbfda.pdfShahid Rajaee Teacher Training UniversityJournal of Discrete Mathematics and Its Applications2981-08097420221201Spectral properties of fullerene graphs195207207710.22061/jdma.2023.2077ENMahinSonghoriMinistry of Education, Organization for Education and Training, Tehran, I. R. IranMinaRajabi-ParsaLecturer at the Department of Mathematics, Farhangian University, Tehran, I. R. IranRazieAlidehi-RavandiDepartment of Mathematics, Faculty of Science, Shahid Rajaee Teacher Training University, Tehran, 16785-163, I. R. IranJournal Article20231101Fullerenes are polyhedral molecules made of carbon atoms. These graphs have attracted much attention in the chemical and the mathematical literature. In the present paper, we investigate problems concerned with the eigenvalues of fullerene graphs. We obtain new upper bounds for the smallest eigenvalues of fullerenes using bipartite edge-frustration of their related subgraphs.https://jdma.sru.ac.ir/article_2077_dcc9b466bf936fbcb63af2d49dd64279.pdfShahid Rajaee Teacher Training UniversityJournal of Discrete Mathematics and Its Applications2981-08097420221201Computing the clar number of nanotubes and other fullerenes20922184310.22061/jdma.2022.843ENJuan AndresMontoyaMathematics, Sciences
Universidad Nacional de Colombia
BogotaLaura VivianaCadavidMathematics, Sciences, Universidad Nacional de Colombia, Bogota, ColombiaJournal Article20221023We exhibit a polynomial time algorithm that computes the Clar number of any nanotube. This algorithm can be easily extended to one that computes the Clar number of fullerene whose pentagon-clusters are all of even size.<br /><br />It is known that computing the Clar number of planar graphs is NP-hard. It is not known if computing the Clar number of fullerenes is a tractable problem. We show that the latter problem can be suitably approximated in polynomial time, and we also discuss the existence of fpt-algorithms for this important problem of Cheminformatics.https://jdma.sru.ac.ir/article_843_d973aa10a3bba53a7eb126b12152fd57.pdfShahid Rajaee Teacher Training UniversityJournal of Discrete Mathematics and Its Applications2981-08097420221201Topological indices of some families of nanostar dendrimers22323584710.22061/jdma.2022.847ENMuhammad KamranSiddiquiDepartment of Mathematics
COMSATS University Islamabad, Sahiwal Campus, 57000, PakistanNajma AbdulRehmanDepartment of Mathematics, COMSATS University, Islamabad, Sahiwal Campus, 57000, Pakistan.MuhammadImranDepartment of Mathematics,, School of Natural Sciences (SNS)Journal Article20221030A molecular graph is hydrogen depleted chemical structure in which vertices denote atoms and edges denote the bonds. Nanostar dendrimers, a type of chemical compound, have potential in fields such as chemistry, nanotechnology, electronics, optics, materials science and architecture. Nanostar dendrimers and their molecular descriptors are being widely used in QSAR/QSPR and these are studies in chemistry and drugj designing as well as modeling of compounds. There are certain types of topological indices like distance based, degree based and counting related topological indices. In this article we gave exacts relations for first and second Zagrebs index, hyper Zagreb index, multiplicative Zagreb indices ass well as first and second Zagreb polynomials for some families of nanostar dendrimers.https://jdma.sru.ac.ir/article_847_8126161daf15378cc48ea5758dea0146.pdfShahid Rajaee Teacher Training UniversityJournal of Discrete Mathematics and Its Applications2981-08097420221201A survey on symmetric division degree index237251194110.22061/jdma.2023.9656.1048ENNajafAmraeiMinistry of Education, Organization for Education and Training, Tehran, I. R. IranJournal Article20230525The symmetric division degree (SDD) index is one the 148 discrete Adriatic indices,<br />introduced by Vukicevi´c et al. as a remarkable predictor of total surface area of polychlorobiphenyls.<br />The SDD index has already been proved a valuable index in the QSPR/QSAR studies. This paper is<br />essentially a survey of known results about bounds for SDD index of graphs.https://jdma.sru.ac.ir/article_1941_be1545a3db41f32a6b6ff7e03e1e69cf.pdf