Chemical reactivity indexes in density f
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Chermette, H.
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Article
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1999
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John Wiley and Sons
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English
⚖ 336 KB
👁 2 views
The theoretical description of charge distribution, and related properties, such as chemical reactivity descriptors of chemical compounds, has Ž . greatly benefited from the development of density functional theory DFT methods. Indeed, most concepts stemmed from DFT but, up to now, they have been us