2016

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

2016

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