فهرست مطالب

Mathematical Chemistry - Volume:11 Issue: 1, Winter 2020

Iranian Journal of Mathematical Chemistry
Volume:11 Issue: 1, Winter 2020

  • تاریخ انتشار: 1399/03/06
  • تعداد عناوین: 6
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  • Risong Li * Pages 1-9

    In this article, we further consider the above system. In particular, we give a sufficient condition under which the above system is Kato chaotic for $eta=0$ and a necessary condition for the above system to be Kato chaotic for $eta=0$. Moreover, it is deduced that for $eta=0$, if $Theta$ is P-chaotic then so is this system, where a continuous map $Theta$ from a compact metric space $Z$ to itself is said to be P-chaotic if it has the pseudo-orbit-tracing property and the closure of the set of all periodic points for $Theta$ is the space $Z$. Also, an example and three open problems are presented.

    *The formula is not displayed correctly.

    Keywords: Coupled map lattice, Kato's chaos, P-chaos, Li-Yorke's chaos, Tent map
  • Negur Karamzadeh *, Mohammad Darafsheh Pages 11-16

    The n-star graph Sn is defined on the set of all n sequenses (u1,u2,...,un), ui ∈ {1, 2, ..., n}, ui ne uj and i ne j, where edges are of the form (u1,u2,...,un) ∼ (ui,u2,...,un), for some i ne 1. In this paper we will show that Sn is a vertex and edge transitive graph and discuss some topological properties of Sn.

    * The formula is not displayed correctly.

    Keywords: Star graph, Vertex transitive graph, edge transitive graph, Wiener index
  • Mohammad Mehdizadeh Khalsaraei *, Ali Shokri Pages 17-31
    In this paper, we introduce a new symmetric explicit four-step method with variable coefficients for the numerical solution of second-order linear periodic and oscillatory initial value problems of ordinary differential equations. For the first time in the literature, we generate an explicit method with the most important singularly P-stability property. The method is multiderivative and has algebraic order eight and infinite order of phase-lag. The numerical results for some chemical (e.g. orbit problems of Stiefel and Bettis) as well as quantum chemistry problems (i.e. systems of coupled differential equations) indicated that the new method is superior, efficient, accurate and stable.
    Keywords: Explicit methods, Phase-lag, Ordinary differential equations, P-stable, Symmetric multistep methods
  • Modjtaba Ghorbani *, Shaghayegh Rahmani, Mohammad Eslampoor Pages 33-42

    A general bond additive index (GBA) can be defined as , where α(e) is edge contributions. The Mostar index is a new topological index whose edge contributions are α(e) = | nu - nv| in which nu is the number of vertices of lying closer to vertex u than to vertex v and nv can be defined similarly. In this paper, we propose some new results on the Mostar index based on the vertex-orbits under the action of automorphism group. In addition, we detrmined the structures of graphs with Mostar index equal 1. Finally, compute the Mostar index of a family of nanocone graphs.

    * The formula is not displayed correctly.

    Keywords: Molecular graphs, topological index, Automorphism group
  • Valeh Arabzadeh, Mahmoud Sohrabi *, Nasser Goudarzi, Mehran Davallo Pages 43-55
    In the present paper, the simultaneous spectrophotometric estimation of Metformin (MET) and Pioglitazone (PIO) in an antidiabetic drug called Actoplus MET based on least squares support vector machine (LS-SVM) was proposed. The optimum gamma (γ) and sigma (σ) parameters were found to be 825 and 90 with the root mean square error (RMSE) of 0.1343for MET, as well as 1000 and 350 with RMSE=0.4120 for PIO. Also, the mean recovery values of MET and PIO were 99.81% and 100.19%, respectively. Ultimately, the real sample was analyzed by High-Performance Liquid Chromatography (HPLC) reference method and the proposed procedure. Then, one-way analysis of variance (ANOVA) test at the 95 % confidence level was performed on achieved results from HPLC and LS-SVM methods. The statistical data of these methods showed that there were no significant differences between them.
    Keywords: spectrophotometric, Least squares support vector machine, Metformin, Pioglitazone, High-performance liquid chromatography
  • Tomislav Doslic * Pages 57-63

    We present explicit formulas for the Laplacian Szeged eigenvalues of paths, grids, $C_4$-nanotubes and of Cartesian products of paths with some other simple graphs. A number of open problems is listed.

    *The formula is not displayed correctly.

    Keywords: Path graph, grid graph, Cartesian product