APPLICATION OF THE THEORY OF GRAPHS IN DETRMINING THE ENERGY OF THE MOLECULAR Π-ORBITALS Free Essay, Term Paper and Book Report
APPLICATION OF THE THEORY OF GRAPHS IN DETERMINING THE ENERGY LEVELS OF THE MOLECULAR Π-ORBITALS IN THE AROMATIC HYDROCARBONS
The theory of graphs is a relatively new field in mathematics and is the subject of intense investigation today. The theory of graphs has found a variety of applications, ranging from trivial, such as those found in chess, to the problems in the optimisation of processes in a factory, for example. An important field that has seen the use of the theory of graphs is quantum chemistry. The theory of graphs can be used to simplify the problem of determining the energy levels of electrons in some types of molecules, such as those of aromatic hydrocarbons. Aromatic hydrocarbons can be represented with a graph that corresponds to the structural formula of the molecule. The graph of the molecule can then be represented with an adjacency matrix. The eigenvalues and the corresponding eigenvectors of the matrix (graph) are the possible energy levels of the -molecular orbitals of the electrons in aromatic hydrocarbons whose typical representative is benz......
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