Comparison of the Full Catalytic Cycle of Hydroformylation Mediated by Mono- and Bis-Ligated Triphenylphosphine-Rhodium Complexes by Using DFT Calculations

Confining Phosphanes Derived from Cyclodextrins for Efficient Regio- and Enantioselective Hydroformylation

(2014) Matthieu Jouffroy et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ligand Effects on the Regioselectivity of Rhodium-Catalyzed Hydroformylation: Density Functional Calculations Illuminate the Role of Long-Range Noncovalent Interactions

(2014) Manoj Kumar et al.   ORGANOMETALLICS

A theoretical study of the activity in Rh-catalysed hydroformylation: the origin of the enhanced activity of the π-acceptor phosphinine ligand

(2014) Sonia Aguado-Ullate et al.   Catalysis Science & Technology

Realistic Energy Surfaces for Real-World Systems: An IMOMO CCSD(T):DFT Scheme for Rhodium-Catalyzed Hydroformylation with the 6-DPPon Ligand

(2013) Urs Gellrich et al.   CHEMISTRY-A EUROPEAN JOURNAL

Capsule-controlled selectivity of a rhodium hydroformylation catalyst

(2013) Vladica Bocokić et al.   Nature Communications

Applied Hydroformylation

(2012) Robert Franke et al.   CHEMICAL REVIEWS

Coordination Studies on Supramolecular Chiral Ligands and Application in Asymmetric Hydroformylation

(2012) Rosalba Bellini et al.   CHEMISTRY-A EUROPEAN JOURNAL

Propagation and termination steps in Rh-mediated carbene polymerisation using diazomethane

(2012) Nicole M. G. Franssen et al.   DALTON TRANSACTIONS

Supramolecular Control of Ligand Coordination and Implications in Hydroformylation Reactions

(2011) Rosalba Bellini et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Rhodium-Catalyzed Hydroformylation Using Hindered Phosphine Ligands: An In Situ Study

(2010) Eoin Rafter et al.   ChemCatChem

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

Factors Controlling the Selective Hydroformylation of Internal Alkenes to Linear Aldehydes. 1. The Isomerization Step

(2009) Maria Àngels Carvajal et al.   ORGANOMETALLICS

The Rate-Determining Step in the Rhodium–Xantphos-Catalysed Hydroformylation of 1-Octene

(2007) Erik Zuidema et al.   CHEMISTRY-A EUROPEAN JOURNAL