科研之友
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摘要
Recent description on density DF) sets of origin shifts is used in the present work to describe in a simple way Fukui functions. The present paper discusses first the possibilities and nuances of the origin shift in sets of three DF, formed by cation, neutral and anion functions; then uses quantum similarity techniques to analyze the resultant origin shifted DF sets. Extension of the origin shift in arbitrary sets of DF is also discussed, with a final application over the structure of a single DF itself in terms of the MO shape functions basis set.
- 出版日期2013-3
