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2016

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  2. Publications
NHC–Copper(I) Halide-Catalyzed Direct Alkynylation of Trifluoromethyl Ketones on Water
Year: 2016 DOI:https://doi.org/10.1002/chem.201601581
Authors: Paweł Czerwiński, Edyta Molga, Luigi Cavallo, Albert Poater, Michał Michalak
Chemistry–A European Journal
Synthesis, Structure and Catalytic Activity of NHC–AgI Carboxylate Complexes
Year: 2016 DOI:https://doi.org/10.1002/chem.201601762
Authors: Dr. Valerie H. L. Wong, Dr. Sai V. C. Vummaleti, L. Cavallо, et.al.
Chemistry–A European Journal
Tungsten(VI) Carbyne/Bis(carbene) Tautomerization Enabled by N-Donor SBA15 Surface Ligands: A Solid-State NMR and DFT Study
Year: 2016 DOI:https://doi.org/10.1002/anie.201605934
Authors: Anissa Bendjeriou‐Sedjerari, Yury Minenkov, Bilel Hamzaoui, Baraa Werghi, et.al.
Angewandte Chemie International Edition
Single-Site Tetracoordinated Aluminum Hydride Supported on Mesoporous Silica. From Dream to Reality!
Year: 2016 DOI:https://doi.org/10.1021/acs.organomet.6b00454
Authors: Anissa Bendjeriou‐Sedjerari, Abdesslem Jedidi, Baraa Werghi, Abdesslem Jedid, Edy Abou-Hamad, Luigi Cavallo, Jean-Marie Basset
Organometallics.
Coupling of Carbon Dioxide with Epoxides Efficiently Catalyzed by Thioether-Triphenolate Bimetallic Iron(III) Complexes: Catalyst Structure–Reactivity Relationship and Mechanistic DFT Study
Year: 2016 DOI:https://doi.org/10.1002/adsc.201600621
Authors: Francesco Della Monica, Sai VC Vummaleti, Antonio Buonerba, , Assunta De Nisi, et.al.
Advanced Synthesis & Catalysis
Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment
Year: 2016 DOI:https://doi.org/10.1002/prot.25007
Authors: Marc F Lensink, Sameer Velankar, Andriy Kryshtafovych, Shen‐You Huang, et.al.
Proteins.
Mechanistic Insights into the Organopolymerization of N-Methyl N-Carboxyanhydrides Mediated by N-Heterocyclic Carbenes.
Year: 2016 DOI:https://doi.org/10.1021/acs.macromol.6b01722
Authors: Laura Falivene, Miasser Al Ghamdi, Luigi Cavallo
Macromolecules.
The Quest for Converting Biorenewable Bifunctional α-Methylene-γ-butyrolactone into Degradable and Recyclable Polyester: Controlling Vinyl-Addition/Ring-Opening/Cross-Linking Pathways.
Year: 2016 DOI:https://doi.org/10.1021/jacs.6b07974
Authors: Miao Hong, Laura Falivene, Lucia Caporaso, Luigi Cavallo, et.al.
J. Am. Chem. Soc.
Selective Metathesis of α-Olefins from Bio-Sourced Fischer–Tropsch Feeds
Year: 2016 DOI:https://doi.org/10.1021/acscatal.6b01428
Authors: Mathieu Rouen, Pierre Queval, Etienne Borré, Laura Falivene, Albert Poater, et.al.
ACS Catal.
  • Olefin metathesis
  • Ruthenium
  • unsymmetrical NHC
  • Fischer−Tropsch feeds
  • isomerization
  • selectivity
Introducing a Clustering Step in a Consensus Approach for the Scoring of Protein-Protein Docking Models
Year: 2016 DOI:https://doi.org/10.1371/journal.pone.0166460
Authors: Edrisse Chermak, Renato De Donato, Marc F Lensink, Andrea Petta, et.al.
Suitable Fundamental Properties of Ta0.75V0.25ON Material for Visible-Light-Driven Photocatalysis: A DFT Study
Year: 2016 DOI:https://doi.org/10.1021/acsomega.6b00250
Authors: Moussab Harb, Luigi Cavallo
ACS Omega.
Single-Step Access to Long-Chain α,ω-Dicarboxylic Acids by Isomerizing Hydroxycarbonylation of Unsaturated Fatty Acids
Year: 2016 DOI:https://doi.org/10.1021/acscatal.6b02622
ACS Catal.
Simple activation by acid of latent Ru-NHC-based metathesis initiators bearing 8-quinolinolate co-ligands
Year: 2016 DOI:https://doi.org/10.3762/bjoc.12.17
Authors: Julia Wappel, Roland C. Fischer, Luigi Cavallo, Christian Slugovc, Albert Poater
Beilstein J. Org. Chem. 
  • acid
  • activation by acid
  • Metathesis
  • polymer
  • quinolin
  • Ruthenium
  • triggerable
On the Mechanism of the Digold(I)–Hydroxide-Catalysed Hydrophenoxylation of Alkynes
Year: 2016 DOI:https://doi.org/10.1002/chem.201503097
Authors: Adrián Gómez‐Suárez, Yoshihiro Oonishi, Anthony R Martin, Sai VC Vummaleti, David J Nelson, David B Cordes, et.al.
Chemistry A European journal
Synthesis and characterization of a homogeneous and silica supported homoleptic cationic tungsten(VI) methyl complex: application in olefin metathesis
Year: 2016 DOI:https://doi.org/10.1039/C6CC05352A
Authors: Raju Dey, Manoja K Samantaray, Albert Poater, Ali Hamieh, Santosh Kavitake, et.al.
Chem. Commun.
Controlling the hydrogenolysis of silica-supported tungsten pentamethyl leads to a class of highly electron deficient partially alkylated metal hydrides
Year: 2016 DOI:https://doi.org/10.1039/C5SC03490F
Authors: Niladri Maity, Samir Barman, Emmanuel Callens, Manoja K Samantaray, et.al.
Chem. sci.
How easy is CO2 fixation by M–C bond containing complexes M  Cu, Ni, Co, Rh, Ir?
Year: 2016 DOI:https://doi.org/10.1039/C5QO00281H
Authors: Sai VC Vummaleti, Giovanni Talarico, Steven P Nolan, Luigi Cavallo, Albert Poater
Org. Chem. Front.
Robust Cross-Linked Stereocomplexes and C-60 Inclusion Complexes of Vinyl-Functionalized Stereoregular Polymers Derived from Chemo/Stereoselective Coordination Polymerization
Year: 2016 DOI:DOI: 10.1021/jacs.6b04064
Authors: Vidal, F., Falivene, L., Caporaso, L., Cavallo, L., Chen, E. Y. X.
J. Am. Chem. Soc.
  • Polar monomers
  • Polymerization
  • Metallocenes
  • DFT
Structural and energetic characterization of the emissive RNA alphabet based on the isothiazolo 4,3-d pyrimidine heterocycle core
Year: 2016 DOI:DOI: 10.1039/c6cp03268k
Authors: Chawla, M., Poater, A., Oliva, R., Cavallo, L.
Physical Chemistry Chemical Physics.
  • Nucleic acids
  • Emissive basis
  • DFT
SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps
Year: 2016
Authors: Falivene, L., Credendino, R., Poater, A., Petta, A., Serra, L., Oliva, R., Scarano, V., Cavallo, L.
  • Catalytic pocket
  • Steric descriptor
  • Buried volume
Cu-Sn Bimetallic Catalyst for Selective Aqueous Electroreduction of CO2 to CO
Year: 2016 DOI:DOI: 10.1021/acscatal.6b00269
Authors: Sarfraz, S., Garcia-Esparza, A. T., Jedidi, A., Cavallo, L., Takanabe, K.
ACS Catal.
  • CO2 reduction
  • Electrochemistry
  • DFT
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