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 QIDQ6185031

Jorge Ignacio Martínez-Araya

Publication date: 29 January 2024

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

zbMATH Keywords

conceptual DFTFukui functiondual descriptorlocal hyper-softnesslocal softnesssize consistency

Mathematics Subject Classification ID

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

Cites Work

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

This page was built for publication: Why are the local hyper-softness and the local softness more appropriate local reactivity descriptors than the dual descriptor and the Fukui function, respectively?