Why are the local hyper-softness and the local softness more appropriate local reactivity descriptors than the dual descriptor and the Fukui function, respectively?

DOI10.1007/S10910-023-01539-8MaRDI QIDQ6185031zbMATH OpenFDO

Authors Jorge Ignacio Martínez-Araya

Publication date 29 January 2024

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/S10910-023-01539-8

zbMATH Keywords

conceptual DFTdual descriptorFukui functionlocal hyper-softnesslocal softnesssize consistency

Mathematics Subject Classification ID

Computer science (68-XX) Biology and other natural sciences (92-XX)

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Cites work

• Why is the dual descriptor a more accurate local reactivity descriptor than Fukui functions?

Cited in

(1)

• The dual descriptor potential

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