Eccentric connectivity index

The eccentric connectivity index $\xi^c$ is a novel distance--based molecular structure descriptor that was recently used for mathematical modeling of biological activities of diverse nature. It is defined as $\xi^c (G) = \sum_{v \in V (G)} deg (v) \cdot \epsilon (v)$\,, where $deg (v)$ and $\epsilon (v)$ denote the vertex degree and eccentricity of $v$\,, respectively. We survey some mathematical properties of this index and furthermore support the use of eccentric connectivity index as topological structure descriptor. We present the extremal trees and unicyclic graphs with maximum and minimum eccentric connectivity index subject to the certain graph constraints. Sharp lower and asymptotic upper bound for all graphs are given and various connections with other important graph invariants are established. In addition, we present explicit formulae for the values of eccentric connectivity index for several families of composite graphs and designed a linear algorithm for calculating the eccentric connectivity index of trees. Some open problems and related indices for further study are also listed.Comment: 25 pages, 5 figure

Explicit near-Ramanujan graphs of every degree

For every constant $d \geq 3$ and $\epsilon > 0$, we give a deterministic $\mathrm{poly}(n)$-time algorithm that outputs a $d$-regular graph on $\Theta(n)$ vertices that is $\epsilon$-near-Ramanujan; i.e., its eigenvalues are bounded in magnitude by $2\sqrt{d-1} + \epsilon$ (excluding the single trivial eigenvalue of~$d$).Comment: 26 page

The inertia of unicyclic graphs and the implications for closed-shells

AbstractThe inertia of a graph is an integer triple specifying the number of negative, zero, and positive eigenvalues of the adjacency matrix of the graph. A unicyclic graph is a simple connected graph with an equal number of vertices and edges. This paper characterizes the inertia of a unicyclic graph in terms of maximum matchings and gives a linear-time algorithm for computing it. Chemists are interested in whether the molecular graph of an unsaturated hydrocarbon is (properly) closed-shell, having exactly half of its eigenvalues greater than zero, because this designates a stable electron configuration. The inertia determines whether a graph is closed-shell, and hence the reported result gives a linear-time algorithm for determining this for unicyclic graphs

No mixed graph with the nullity η(G~)=∣V(G)∣−2m(G)+2c(G)−1\eta(\widetilde{G})=|V(G)|-2m(G)+2c(G)-1

A mixed graph $\widetilde{G}$ is obtained from a simple undirected graph $G$, the underlying graph of $\widetilde{G}$, by orienting some edges of $G$. Let $c(G)=|E(G)|-|V(G)|+\omega(G)$ be the cyclomatic number of $G$ with $\omega(G)$ the number of connected components of $G$, $m(G)$ be the matching number of $G$, and $\eta(\widetilde{G})$ be the nullity of $\widetilde{G}$. Chen et al. (2018)\cite{LSC} and Tian et al. (2018)\cite{TFL} proved independently that $|V(G)|-2m(G)-2c(G) \leq \eta(\widetilde{G}) \leq |V(G)|-2m(G)+2c(G)$, respectively, and they characterized the mixed graphs with nullity attaining the upper bound and the lower bound. In this paper, we prove that there is no mixed graph with nullity $\eta(\widetilde{G})=|V(G)|-2m(G)+2c(G)-1$. Moreover, for fixed $c(G)$, there are infinitely many connected mixed graphs with nullity $|V(G)|-2m(G)+2c(G)-s$ $( 0 \leq s \leq 3c(G), s\neq1 )$ is proved