Why are the local hyper-softness and the local softness more appropriate local reactivity descriptors than the dual descriptor and the Fukui function, respectively? (Q6185031)
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scientific article; zbMATH DE number 7796565
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| English | Why are the local hyper-softness and the local softness more appropriate local reactivity descriptors than the dual descriptor and the Fukui function, respectively? |
scientific article; zbMATH DE number 7796565 |
Statements
Why are the local hyper-softness and the local softness more appropriate local reactivity descriptors than the dual descriptor and the Fukui function, respectively? (English)
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29 January 2024
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conceptual DFT
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Fukui function
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dual descriptor
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local softness
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local hyper-softness
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size consistency
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0.7962373495101929
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0.6862599849700928
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0.6480895280838013
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0.6349096894264221
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0.6286784410476685
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