Search results
Results from the WOW.Com Content Network
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.
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 ...
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 .
Operations between graphs include evaluating the direction of a subsumption relationship between two graphs, if any, and computing graph unification. The unification of two argument graphs is defined as the most general graph (or the computation thereof) that is consistent with (i.e. contains all of the information in) the inputs, if such a ...
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.
This graph is called the "Van 't Hoff plot" and is widely used to estimate the enthalpy and entropy of a chemical reaction. From this plot, − Δ r H / R is the slope, and Δ r S / R is the intercept of the linear fit.
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.
In mathematics, a relation denotes some kind of relationship between two objects in a set, which may or may not hold. [1] As an example, " is less than " is a relation on the set of natural numbers ; it holds, for instance, between the values 1 and 3 (denoted as 1 < 3 ), and likewise between 3 and 4 (denoted as 3 < 4 ), but not between the ...