相关论文: Simple Alcohols with the Lowest Normal Boiling Poi…
Let $G =(V_{G}, E_{G})$ be a simple connected graph with its vertex set $V_{G}$ and edge set $E_{G}$. The Mostar index $Mo(G)$ was defined as $Mo(G)=\sum\limits_{e=uv\in E(G)}|n_{u}-n_{v}|$, where $n_{u}$ (resp., $n_{v}$) is the number of…
A topological index is a real number which is derived from a network or a graph by mathematically that characterizes the whole of its structural properties. Recently, there are various topological indices that have been introduced in…
Making use of a majorization technique for a suitable class of graphs, we derive upper and lower bounds for some topological indices depending on the degree sequence over all vertices, namely the first general Zagreb index and the first…
Topological indices are graph-theoretic descriptors that play a crucial role in mathematical chemistry, capturing the structural characteristics of molecules and enabling the prediction of their physicochemical properties. A widely studied…
Given a simple connected undirected graph G, the Wiener index W(G) of G is defined as half the sum of the distances over all pairs of vertices of G. In practice, G corresponds to what is known as the molecular graph of an organic compound.…
The {\em atom-bond connectivity (ABC) index} is one of the recently most investigated degree-based molecular structure descriptors, that have applications in chemistry. For a graph $G$, the ABC index is defined as $\sum_{uv\in…
Let $G=(V(G),E(G))$ be a molecular graph, where $V(G)$ and $E(G)$ are the sets of vertices (atoms) and edges (bonds). A topological index of a molecular graph is a numerical quantity which helps to predict the chemical/physical properties…
The atom-bond connectivity (ABC) index is a degree-based molecular descriptor with diverse chemical applications. Recent work of Lin et al. [W. Lin, J. Chen, C. Ma, Y. Zhang, J. Chen, D. Zhang, and F. Jia, On trees with minimal ABC index…
We provide a physical interpretation of the Kirchhoff index of any molecules as well as of the Wiener index of acyclic ones. For the purpose, we use a local vertex invariant that is obtained from first principles and describes the atomic…
The Zagreb index, which is defined as the sum of squares of degrees of the nodes of a tree, was studied in previous works by martingale techniques for random non-plane recursive trees and classes of random trees which are close to random…
Theoretical molecular descriptors alias topological indices are a convenient means for expressing in a numerical form the chemical structure encoded in a molecular graph. The structure descriptors derived from molecular graphs are widely…
We review in this work specific-heat experiments, that we have conducted on different hydrogen-bonded glasses during last years. Specifically, we have measured the low-temperature specific heat Cp for a set of glassy alcohols: normal and…
This paper establishes sharp bounds for the vulnerability measures of closeness and generalized closeness in graphs and identifies graphs that attain these bounds. It further develops bounds incorporating Zagreb indices for triangle- and…
Topological indices are parameters associated with graphs that have many applications in different areas such as mathematical chemistry. Among various topological indices, the Wiener index is classical \cite{w}. In this paper, we prove a…
The first multiplicative Zagreb index of a graph $G$ is the product of the square of every vertex degree, while the second multiplicative Zagreb index is the product of the products of degrees of pairs of adjacent vertices. In this paper,…
The vertex $k$-partiteness $v_k(G)$ of graph $G$ is defined as the fewest number of vertices whose deletion from $G$ yields a $k$-partite graph. In this paper, we introduce two concepts: monotonic decreasing topological index and monotonic…
We study that over some types of trees with a given number of vertices, which trees minimize or maximize the total number of subtrees. Trees minimizing (resp. maximizing) the total number of subtrees usually maximize (resp. minimize) the…
Szeged, PI and Mostar indices are some of the most investigated distance-based molecular descriptors. Recently, many different variations of these topological indices appeared in the literature and sometimes they are all together called…
In theoretical chemistry, distance-based molecular structure descriptors are used for modeling physical, pharmacologic, biological and other properties of chemical compounds. We introduce a generalized Wiener polarity index $W_k (G)$ as the…
For a graph $G$, the Mostar index of $G$ is the sum of $|n_u(e)$ - $n_v(e)|$ over all edges $e=uv$ of $G$, where $n_u(e)$ denotes the number of vertices of $G$ that have a smaller distance in $G$ to $u$ than to $v$, and analogously for…