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>Classification schemes of nuclear geometries and the concept of chemical structure. Metric spaces of chemical structure sets over potential energy hypersurfaces
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Classification schemes of nuclear geometries and the concept of chemical structure. Metric spaces of chemical structure sets over potential energy hypersurfaces
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机译:Classification schemes of nuclear geometries and the concept of chemical structure. Metric spaces of chemical structure sets over potential energy hypersurfaces
A general concept of chemical structure based on topologies of the nuclear configuration space is proposed. A metric, describing chemically significant structural differences, is introduced and two recently proposed definitions of molecular structure are compared within the general topological framework.
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