Electrophilicity kernel and its hierarchy through softness in conceptual density functional theory

Analytical evaluation of Fukui functions and real-space linear response function

(2012) Weitao Yang et al.   JOURNAL OF CHEMICAL PHYSICS

New Link between Conceptual Density Functional Theory and Electron Delocalization

(2011) Eduard Matito et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A new approach to local hardness

(2011) T. Gál et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Linear Response Kernel: Inductive and Resonance Effects Quantified

(2010) Nick Sablon et al.   Journal of Physical Chemistry Letters

Should negative electron affinities be used for evaluating the chemical hardness?

(2010) Carlos Cárdenas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Relationships between the third-order reactivity indicators in chemical density-functional theory

(2009) Carlos Cárdenas et al.   JOURNAL OF CHEMICAL PHYSICS

On the applicability of local softness and hardness

(2009) M. Torrent-Sucarrat et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Do the Local Softness and Hardness Indicate the Softest and Hardest Regions of a Molecule?

(2008) Miquel Torrent-Sucarrat et al.   CHEMISTRY-A EUROPEAN JOURNAL

Universal mathematical identities in density functional theory: Results from three different spin-resolved representations

(2008) P. Pérez et al.   JOURNAL OF CHEMICAL PHYSICS

Beyond electronegativity and local hardness: Higher-order equalization criteria for determination of a ground-state electron density

(2008) Paul W. Ayers et al.   JOURNAL OF CHEMICAL PHYSICS

Local hardness equalization: Exploiting the ambiguity

(2008) Paul W. Ayers et al.   JOURNAL OF CHEMICAL PHYSICS

Chemical action and chemical bonding

(2008) Mihai V. Putz   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Conceptual DFT: the chemical relevance of higher response functions

(2008) P. Geerlings et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The hardness kernel as the basis for global and local reactivity indices

(2007) Miquel Torrent-Sucarrat et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY