Revisiting electroaccepting and electrodonating powers: proposals for local electrophilicity and local nucleophilicity descriptors

In pursuit of negative Fukui functions: molecules with very small band gaps

(2014) Eleonora Echegaray et al.   JOURNAL OF MOLECULAR MODELING

Information Conservation Principle Determines Electrophilicity, Nucleophilicity, and Regioselectivity

(2014) Shubin Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Woodward–Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory

(2012) Paul Geerlings et al.   ACCOUNTS OF CHEMICAL RESEARCH

In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity

(2012) Eleonora Echegaray et al.   JOURNAL OF MOLECULAR MODELING

The dual descriptor: Working equations applied on electronic open-shell molecular systems

(2011) Jorge Ignacio Martínez Araya   CHEMICAL PHYSICS LETTERS

Update 2 of: Electrophilicity Index

(2011) Pratim Kumar Chattaraj et al.   CHEMICAL REVIEWS

Application of the electron density force to chemical reactivity

(2011) Christophe Morell et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stereochemical control in the structures of linear δ,α-hybrid tripeptides containing tetrahydrofuran amino acids

(2010) Tushar Kanti Chakraborty et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Chemical Reactivity Descriptors for Ambiphilic Reagents: Dual Descriptor, Local Hypersoftness, and Electrostatic Potential

(2009) Carlos Cárdenas et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Net Electrophilicity

(2009) Pratim Kumar Chattaraj et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dual descriptors within the framework of spin-polarized density functional theory

(2008) E. Chamorro 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

Initial Hardness Response and Hardness Profiles in the Study of Woodward–Hoffmann Rules for Electrocyclizations

(2008) F. De Proft et al.   Journal of Chemical Theory and Computation

Rationalization of Diels–Alder reactions through the use of the dual reactivity descriptor Δf(r)

(2008) Christophe Morell et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS