Statistical Significance of the Maximum Hardness Principle Applied to Some Selected Chemical Reactions

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

(2016) Luis Domingo et al.   MOLECULES

On the Validity of the Maximum Hardness Principle and the Minimum Electrophilicity Principle during Chemical Reactions

(2013) Sudip Pan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Global and local reactivity indices for electrophilic/nucleophilic free radicals

(2013) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions

(2012) Raman K. Singh et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Update 2 of: Electrophilicity Index

(2011) Pratim Kumar Chattaraj et al.   CHEMICAL REVIEWS

Editorial [Hot Topic: Applications of Reactivity Indices based on Density Functional Theory to the Study of Organic Reactions. The Case of the Diels-Alder Reaction (Guest Editor: Luis R. Domingo)]

(2011) Luis R. Domingo   LETTERS IN ORGANIC CHEMISTRY

A diagnostic for determining the quality of single-reference electron correlation methods

(2010) Timothy J. Lee et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Segmented contracted basis sets for one- and two-component Dirac–Fock effective core potentials

(2010) Florian Weigend 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