Electronic activity in chelotropic and cycloaddition reactions

Regaining the Woodward–Hoffmann rules for chelotropic reactions via conceptual DFT

(2010) Pablo Jaque et al.   CANADIAN JOURNAL OF CHEMISTRY

The mechanism of the interstellar isomerization reaction HOC+→HCO+ catalyzed by H2: New Insights from the reaction electronic flux

(2009) Stefan Vogt-Geisse et al.   JOURNAL OF CHEMICAL PHYSICS

The reaction electronic flux: A new descriptor of the electronic activity taking place during a chemical reaction. Application to the characterization of the mechanism of the Schiff’s base formation in the Maillard reaction

(2009) Patricio Flores-Morales et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Reaction Force Analysis of Solvent Effects in the Addition of HCl to Propene

(2009) Jaroslav V. Burda et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Reaction Electronic Flux: A New Concept To Get Insights into Reaction Mechanisms. Study of Model Symmetric Nucleophilic Substitutions

(2008) Eleonora Echegaray et al.   JOURNAL OF PHYSICAL CHEMISTRY A