Iranian Journal of Mathematical ChemistryIranian Journal of Mathematical Chemistry
http://ijmc.kashanu.ac.ir/
Mon, 27 Mar 2017 17:13:17 +0100FeedCreatorIranian Journal of Mathematical Chemistry
http://ijmc.kashanu.ac.ir/
Feed provided by Iranian Journal of Mathematical Chemistry. Click to visit.The uniqueness theorem for inverse nodal problems with a chemical potential
http://ijmc.kashanu.ac.ir/article_39228_0.html
In this paper, an inverse nodal problem for a second-order differential equation having a chemical potential on a finite interval is investigated. First, we estimate the nodal points and nodal lengths of differential operator. Then, we show that the potential can be uniquely determined by a dense set of nodes of the eigenfunctions.Fri, 04 Nov 2016 20:30:00 +0100Autobiography of Roberto Todeschini
http://ijmc.kashanu.ac.ir/article_43095_2947.html
Wed, 31 May 2017 19:30:00 +0100Graphs with Smallest Forgotten Index
http://ijmc.kashanu.ac.ir/article_43258_0.html
The forgotten topological index of a molecular graph $G$ is defined as $F(G)=sum_{vin V(G)}d^{3}(v)$, where $d(u)$ denotes the degree of vertex $u$ in $G$. The first through the sixth smallest forgotten indices among all trees, the first through the third smallest forgotten indices among all connected graph with cyclomatic number $gamma=1,2$, the first through the fourth for $gamma=3$, and the first and the second for $gamma=4,5$ are determined. These results are compared with those obtained for the first Zagreb index.Mon, 13 Feb 2017 20:30:00 +0100A novel topological descriptor based on the expanded wiener index: applications to QSPR/QSAR studies
http://ijmc.kashanu.ac.ir/article_44115_2947.html
In this paper, a novel topological index, named M-index, is introduced based on expanded form of the Wiener matrix. For constructing this index the atomic characteristics and the interaction of the vertices in a molecule are taken into account. The usefulness of the M-index is demonstrated by several QSPR/QSAR models for different physico-chemical properties and biological activities of a large number of diversified compounds. Moreover, the applicability of the proposed index has been checked among isomeric compounds. In each case the stability of the obtained model is confirmed by the cross validation test. The results of present study indicate that the M-index provides a promising route for developing highly correlated QSPR/QSAR models. On the other hand, the M-index is easy to generate and the developed QSPR/QSAR models based on this index are linearly correlated. This is an interesting feature of the M-index when compared with quantum chemical descriptors which require vast computational cost and exhibit limitations for large sized molecules.Wed, 31 May 2017 19:30:00 +0100On the forgotten topological index
http://ijmc.kashanu.ac.ir/article_43481_0.html
The forgotten topological index is defined as sum of third power of degrees. In this paper, we compute some properties of forgotten index and then we determine it for some classes of product graphs.Thu, 23 Feb 2017 20:30:00 +0100A new two-step Obrechkoff method with vanished phase-lag and some of its derivatives for the ...
http://ijmc.kashanu.ac.ir/article_44492_2947.html
A new two-step implicit linear Obrechkoff twelfth algebraic order method with vanished phase-lag and its first, second, third and fourth derivatives is constructed in this paper. The purpose of this paper is to develop an efficient algorithm for the approximate solution of the one-dimensional radial Schrodinger equation and related problems. This algorithm belongs in the category of the multistep methods. In order to produce an efficient multistep method the phase-lag property and its derivatives are used. An error analysis and a stability analysis is also investigated and a comparison with other methods is also studied. The efficiency of the new methodology is proved via theoretical analysis and numerical applications.Wed, 31 May 2017 19:30:00 +0100