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In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds.
Mathematical chemistry [1] is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. [2] Mathematical chemistry has also sometimes been called computer chemistry , but should not be confused with computational chemistry .
Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena. [1] The pioneers of chemical graph theory are Alexandru Balaban, Ante Graovac, Iván Gutman, Haruo Hosoya, Milan Randić and Nenad Trinajstić [2] (also Harry Wiener and others). In 1988, it was ...
The graphs can be used together to determine the economic equilibrium (essentially, to solve an equation). Simple graph used for reading values: the bell-shaped normal or Gaussian probability distribution, from which, for example, the probability of a man's height being in a specified range can be derived, given data for the adult male population.
In mathematics, spectral graph theory is the study of the properties of a graph in relationship to the characteristic polynomial, eigenvalues, and eigenvectors of matrices associated with the graph, such as its adjacency matrix or Laplacian matrix.
A mathematical symbol is a figure or a combination of figures that is used to represent a mathematical object, an action on mathematical objects, a relation between mathematical objects, or for structuring the other symbols that occur in a formula.
A graph with three vertices and three edges. A graph (sometimes called an undirected graph to distinguish it from a directed graph, or a simple graph to distinguish it from a multigraph) [4] [5] is a pair G = (V, E), where V is a set whose elements are called vertices (singular: vertex), and E is a set of unordered pairs {,} of vertices, whose elements are called edges (sometimes links or lines).
An example graph, with 6 vertices, diameter 3, connectivity 1, and algebraic connectivity 0.722 The algebraic connectivity (also known as Fiedler value or Fiedler eigenvalue after Miroslav Fiedler) of a graph G is the second-smallest eigenvalue (counting multiple eigenvalues separately) of the Laplacian matrix of G. [1]