In Silico Design of Heteroaromatic Half-Sandwich RhICatalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect

Type-I Dyotropic Reactions: Understanding Trends in Barriers

(2012) Israel Fernández et al.   CHEMISTRY-A EUROPEAN JOURNAL

Facile Synthesis of Cyclic Polyphenylenes by Consecutive Inter- and Intramolecular Cycloadditions of ortho-, meta-, and para-Phenylene-Tethered Triynes

(2012) Takanori Shibata et al.   SYNTHESIS-STUTTGART

Recent Advances in Transition-Metal-Catalyzed [2+2+2]-Cyclo(co)trimerization Reactions

(2012) Eelco Ruijter et al.   SYNTHESIS-STUTTGART

Benzene and heterocyclic rings formation in cycloaddition reactions catalyzed by RuCp derivatives: DFT studies

(2011) Maria José Calhorda et al.   INORGANICA CHIMICA ACTA

How to Conceptualize Catalytic Cycles? The Energetic Span Model

(2010) Sebastian Kozuch et al.   ACCOUNTS OF CHEMICAL RESEARCH

Automatic analysis of computed catalytic cycles

(2010) Andreas Uhe et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The activation strain model of chemical reactivity

(2010) Willem-Jan van Zeist et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Intervalence Charge Transfer in Cationic Heterotrinuclear Fe(III)−Rh(I)−Cr(0) Triads of the Polyaromatic Cyclopentadienyl−Indenyl Ligand

(2010) Saverio Santi et al.   ORGANOMETALLICS

Mixed Valence Properties in Ferrocenyl-Based Bimetallic FeCp−Indenyl−MLnComplexes: Effect of the MLnGroup

(2009) Saverio Santi et al.   ORGANOMETALLICS

Kinetic-Quantum Chemical Model for Catalytic Cycles: The Haber−Bosch Process and the Effect of Reagent Concentration

(2008) Sebastian Kozuch et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Linkage Isomerism of Nitriles in Rhodium Half-Sandwich Metallacycles

(2008) Laura Orian et al.   ORGANOMETALLICS