2013

2013

Organocatalytic Conjugate-Addition Polymerization of Linear and Cyclic Acrylic Monomers by N-Heterocyclic Carbenes: Mechanisms of Chain Initiation, Propagation, and Termination

Year: 2013 ISSN:00027863

Authors: Y. Zhang, M. Schmitt, L. Falivene, L. Caporaso, L. Cavallo, E.Y.X. Chen

Computational studies
Conjugate addition
High molecular weight
Initiator efficiency
Methyl methacrylates
N-heterocyclic carbenes
Polymerization activity
Turnover frequency

Using a Consensus Approach Based on the Conservation of Inter-Residue Contacts to Rank CAPRI Models

Year: 2013 ISSN:08873585

Authors: A. Vangone, L. Cavallo, R. Oliva

CAPRI
CONS-COCOMAPS
Consensus
CONSRANK
Docking models
Inter-molecular contacts
Protein-protein interactions
Ranking
Scoring

The Activation Mechanism of Ru-Indenylidene Complexes in Olefin Metathesis

Year: 2013 ISSN:00027863

Authors: C.A. Urbina-Blanco, A. Poater, T. Lebl, S. Manzini, A.M.Z. Slawin, L. Cavallo, S.P. Nolan

Activation mechanisms
Carbon-carbon double bonds
Initiation mechanism
Olefin metathesis
Olefin metathesis reactions
Reaction mechanism
Single mechanisms
Spectator ligands

Concepts for Stereoselective Acrylate Insertion

Year: 2013 ISSN:00027863

Authors: B. Neuwald, L. Caporaso, L. Cavallo, S. Mecking

Aryl substituents
DFT method
Free ligands
Insertion rates
Line shape analysis
Methyl acrylates
Molecular motions
Palladium complexes
Phosphorus atom
Stereo-selective
Stereocontrol
Steric bulk
Substitution patterns
Transition state

Understanding Tantalum-Catalyzed Ethylene Trimerization: When Things Go Wrong

Year: 2013 ISSN:21555435

Authors: Y. Chen, R. Credendino, E. Callens, M. Atiqullah, M.A. Al-Harthi, L. Cavallo, J.-M. Basset

Ethylene oligomerization
Ethylene polymerization
Heterogeneous catalysis
Surface organometallic chemistry
Tantalum catalysis

The Isolation of Pd{OC(O)H}(H)(NHC)(PR3) (NHC = N-Heterocyclic Carbene) and Its Role in Alkene and Alkyne Reductions Using Formic Acid

Year: 2013 ISSN:00027863

Authors: J. Broggi, V. Jurcik, O. Songis, A. Poater, L. Cavallo, A.M.Z. Slawin, C.S.J. Cazin

Computational studies
Multiple bonds
N-heterocyclic carbenes
Palladium complexes
Tandem process
Tandem sequence

Enantioselective Polymerization of Epoxides Using Biaryl-Linked Bimetallic Cobalt Catalysts: A Mechanistic Study

Year: 2013 ISSN:00027863

Authors: S.M. Ahmed, A. Poater, M.I. Childers, P.C.B. Widger, A.M. La Pointe, E.B. Lobkovsky, G.W. Coates, L. Cavallo

Absolute stereochemistry
Bimetallic catalysts
Carboxylate ligands
Catalytic system
Mechanistic studies
Stereo-selective
Structural feature
Structural information