The dual descriptor potential

DOI10.1007/S10910-024-01583-YMaRDI QIDQ6203915zbMATH OpenFDO

Authors Jorge Ignacio Martínez-Araya

Publication date 8 April 2024

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

Full work available at URL https://doi.org/10.1007/S10910-024-01583-Y

zbMATH Keywords

conceptual density functional theorydual descriptordual descriptor potentiallocal reactivitymolecular electrostatic potential

Mathematics Subject Classification ID

Quantum theory (81-XX)

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Cites work

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

Cited in

(1)

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

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