Indenyl Effect Due to Metal Slippage? Computational Exploration of Rhodium-Catalyzed Acetylene [2+2+2] Cyclotrimerization

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

(2013) Laura Orian et al.   CHEMISTRY-A EUROPEAN JOURNAL

Direct Detection of Key Intermediates in Rhodium(I)-Catalyzed [2+2+2] Cycloadditions of Alkynes by ESI-MS

(2012) Magda Parera et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

(2012) Eelco Ruijter et al.   SYNTHESIS-STUTTGART

Indenyl effect in dissociative reactions. Nucleophilic substitution in iron carbonyl complexes: a case study

(2011) Luis F. Veiros et al.   DALTON TRANSACTIONS

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

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

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

The role of cyclopentadienyl versus indenyl in Mo(II) spirodiene complexes reactivity: A DFT mechanistic study

(2009) Luis F. Veiros et al.   INORGANICA CHIMICA ACTA

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