USE OF PROJECTION OPERATORS FOR NUMBERING ATOMS AND INVESTIGATING SYMMETRY PROPERTIES OF MOLECULAR-STRUCTURESстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:The spectral characteristics of symmetric matrices with real elements have found broad application in different areas of graph theory, theoretical physics, theoretical chemistry, and other scientific fields. In this paper, we show how some of these quantities can be used to search for the symmetry elements of matrices such as are used, in quantum chemistry, and also to choose canonical numbering schemes for atoms in molecules. The proposed technique is illustrated by a number of examples.