Classification schemes of nuclear geometries and the concept of chemical structure. Metric spaces of chemical structure sets over potential energy hypersurfaces
作者： Paul G. Mezey
DOI: 10.1063/1.444581
关键词:
摘要: A general concept of chemical structure based on topologies the nuclear configuration space is proposed. metric, describing chemically significant structural differences, introduced and two recently proposed definitions molecular are compared within topological framework.
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