Nature of the ring-closure process along the rearrangement of octa-1,3,5,7-tetraene to cycloocta-1,3,5-triene from the perspective of the electron localization function and catastrophe theory

Meaningful Structural Descriptors from Charge Density

(2011) Dietmar Stalke    CHEMISTRY-A EUROPEAN JOURNAL

Describing the Molecular Mechanism of Organic Reactions by Using Topological Analysis of Electronic Localization Function

(2011) J. Andres et al.   CURRENT ORGANIC CHEMISTRY

Bader's analysis of the electron density in the Pbca enstatite – Pbcn protoenstatite phase transition

(2011) Marcello Merli et al.   EUROPEAN JOURNAL OF MINERALOGY

Computational Analysis of the Mechanism of Chemical Reactions in Terms of Reaction Phases: Hidden Intermediates and Hidden Transition States

(2010) Elfi Kraka et al.   ACCOUNTS OF CHEMICAL RESEARCH

Antibond Breaking-The Formation and Decomposition of He@Adamantane: Descriptions, Explanations, and Meaning of Concepts

(2010) Shu-Guang Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Understanding Reaction Mechanisms in Organic Chemistry from Catastrophe Theory: Ozone Addition on Benzene

(2010) Ibrahim Mbouombouo Ndassa et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Olefin Epoxidation by Molybdenum Peroxo Compound: Molecular Mechanism Characterized by the Electron Localization Function and Catastrophe Theory

(2010) Slawomir Berski et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Understanding the mechanism of non-polar Diels–Alder reactions. A comparative ELF analysis of concerted and stepwise diradical mechanisms

(2010) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Understanding Reaction Mechanisms in Organic Chemistry from Catastrophe Theory Applied to the Electron Localization Function Topology

(2008) Victor Polo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electron localization function for two-dimensional systems

(2008) E. Räsänen et al.   PHYSICAL REVIEW B

An electron localization function and catastrophe theory analysis on the molecular mechanism of gas-phase identity SN2 reactions

(2008) Victor Polo et al.   THEORETICAL CHEMISTRY ACCOUNTS