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2013

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  2. Publications
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 DOI:https://doi.org/10.1021/ja4088677
Authors: Y. Zhang, M. Schmitt, L. Falivene, L. Caporaso, L. Cavallo, E.Y.X. Chen
J. Am. Chem. Soc.
  • 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 DOI:DOI: 10.1002/prot.24423
Authors: A. Vangone, L. Cavallo, R. Oliva
Proteins: Structure, Function, Bioinformatics.
  • 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 DOI:DOI: 10.1021/ja402700p
Authors: C.A. Urbina-Blanco, A. Poater, T. Lebl, S. Manzini, A.M.Z. Slawin, L. Cavallo, S.P. Nolan
J. Am. Chem. Soc.
  • 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 DOI:10.1021/ja3101787
Authors: B. Neuwald, L. Caporaso, L. Cavallo, S. Mecking
J. Am. Chem. Soc.
  • 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 DOI:https://doi.org/10.1021/ja409521z
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
J. Am. Chem. Soc.
  • Absolute stereochemistry
  • Bimetallic catalysts
  • Carboxylate ligands
  • Catalytic system
  • Mechanistic studies
  • Stereo-selective
  • Structural feature
  • Structural information
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