Chemistry

Listando 75 trabajos del autor/autora 38

Lista de trabajos en el área Chemistry

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Article Guidelines for Tuning the Excited State Huckel-Baird Hybrid Aromatic Character of Pro-Aromatic Quinoidal Compounds** Escayola, Silvia; Tonnele, Claire; Matito, Eduard; Poater, Albert; Ottosson, Henrik; Sola, Miquel; Casanova, David ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2021) DOI / 10.1002/anie.202100261

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Article Towards the online computer-aided design of catalytic pockets Falivene, Laura; Cao, Zhen; Petta, Andrea; Serra, Luigi; Poater, Albert; Oliva, Romina; Scarano, Vittorio; Cavallo, Luigi NATURE CHEMISTRY 1755-4330 (2019) DOI / 10.1038/s41557-019-0319-5

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Article Do Carbon Nano-onions Behave as Nanoscopic Faraday Cages? A Comparison of the Reactivity of C-60, C-240, C-60@C-240, Li+@C-60, Li+@C-240, and Li+@C-60@C-240 Antonio Luque-Urrutia, Jesus; Poater, Albert; Sola, Miquel CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2019) DOI / 10.1002/chem.201904650 Green accepted

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Article Computational Monitoring of Oxidation States in Olefin Metathesis Gimferrer, Marti; Salvador, Pedro; Poater, Albert ORGANOMETALLICS 0276-7333 (2019) DOI / 10.1021/acs.organomet.9b00591

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Article Ligand-Controlled Chemoselective C(acyl)-O Bond vs Caryl)-C Bond Activation of Aromatic Esters in Nickel Catalyzed C(sp(2))-C(sp(3)) Cross-Couplings Chatupheeraphat, Adisak; Liao, Hsuan-Hung; Srimontree, Watchara; Guo, Lin; Minenkov, Yury; Poater, Albert; Cavallo, Luigi; Rueping, Magnus JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2018) DOI / 10.1021/jacs.7b12865

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Article Carbo-mer of Barrelene: A Rigid 3D-Carbon-Expanded Molecular Barrel Zhu, Chongwei; Poater, Albert; Duhayon, Carine; Kauffmann, Brice; Saquet, Alix; Rives, Arnaud; Maraval, Valerie; Chauvin, Remi CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2021) DOI / 10.1002/chem.202100670

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Article Carbo-biphenyls and Carbo-terphenyls: Oligo(phenylene ethynylene) Ring Carbo-mers Zhu, Chongwei; Poater, Albert; Duhayon, Carine; Kauffmann, Brice; Saquet, Alix; Maraval, Valerie; Chauvin, Remi ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2018) DOI / 10.1002/anie.201713411

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Article An unprecedented pi-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene Escayola, Silvia; Poater, Albert; Munoz-Castro, Alvaro; Sola, Miquel CHEMICAL COMMUNICATIONS 1359-7345 (2021) DOI / 10.1039/d1cc00593f

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Article Predictive Catalysis in Olefin Metathesis with Ru-based Catalysts with Annulated C-60 Fullerenes in the N-heterocyclic Carbenes Martinez, Juan Pablo; Sola, Miquel; Poater, Albert CHEMISTRY-A EUROPEAN JOURNAL (2021) DOI / 10.1002/chem.202100840

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Article sigma/pi Plasticity of NHCs on the Ruthenium-Phosphine and Ruthenium=Ylidene Bonds in Olefin Metathesis Catalysts Azofra, Luis Miguel; Vummaleti, Sai V. C.; Zhang, Ziyun; Poater, Albert; Cavallo, Luigi ORGANOMETALLICS 0276-7333 (2020) DOI / 10.1021/acs.organomet.0c00536 Green published

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Article Zwitterionic Aromaticity on Azulene Extrapolated to carbo-Azulene Poater, Jordi; Heitkaemper, Juliane; Poater, Albert; Maraval, Valerie; Chauvin, Remi EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 1434-193X (2021) DOI / 10.1002/ejoc.202101228

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Article MOF Encapsulation of Ru Olefin Metathesis Catalysts to Block Catalyst Decomposition Pareras, Gerard; Tiana, Davide; Poater, Albert CATALYSTS (2020) DOI / 10.3390/catal10060687 Gold, Green published

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Article Unprecedented Selectivity of Ruthenium Iodide Benzylidenes in Olefin Metathesis Reactions Nechmad, Noy B.; Phatake, Ravindra; Ivry, Elisa; Poater, Albert; Lemcoff, N. Gabriel ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2020) DOI / 10.1002/anie.201914667

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Article Corecarbo-mer of an Extended Tetrathiafulvalene: Redox-Controlled Reversible Conversion to acarbo-Benzenic Dication Listunov, Dymytrii; Hammerich, Ole; Caballero-Quintana, Irving; Poater, Albert; Barthes, Cecile; Duhayon, Carine; Larsen, Mie Hojer; Maldonado, Jose-Luis; Ramos-Ortiz, Gabriel; Nielsen, Mogens Brondsted; Maraval, Valerie; Chauvin, Remi CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2020) DOI / 10.1002/chem.202001700

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Article Arene vs. Alkene Substrates in Ru-Catalyzed Olefin Metathesis: a DFT Investigation Poater, Albert; Christian D'Alterio, Massimo; Talarico, Giovanni; Chauvin, Remi EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 1434-193X (2020) DOI / 10.1002/ejoc.202000725

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Article Cycloaddition of CO2 to epoxides by highly nucleophilic 4-aminopyridines: establishing a relationship between carbon basicity and catalytic performance by experimental and DFT investigations Natongchai, Wuttichai; Luque-Urrutia, Jesus Antonio; Phungpanya, Chalida; Sola, Miquel; D'Elia, Valerio; Poater, Albert; Zipse, Hendrik ORGANIC CHEMISTRY FRONTIERS 2052-4129 (2021) DOI / 10.1039/d0qo01327g

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Article Mechanism of the Facile Nitrous Oxide Fixation by Homogeneous Ruthenium Hydride Pincer Catalysts Escayola, Silvia; Sola, Miguel; Poater, Albert INORGANIC CHEMISTRY 0020-1669 (2020) DOI / 10.1021/acs.inorgchem.0c01252 Green accepted

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Article Double-Carrousel Mechanism for Mn-Catalyzed Dehydrogenative Amide Synthesis from Alcohols and Amines Luque-Urrutia, Jesus A.; Pelachs, Tania; Sola, Miquel; Poater, Albert ACS CATALYSIS 2155-5435 (2021) DOI / 10.1021/acscatal.1c00693

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Review Mechanistic Aspects of the Palladium-Catalyzed Suzuki-Miyaura Cross-Coupling Reaction D'Alterio, Massimo C.; Casals-Cruanas, Eric; Tzouras, Nikolaos V.; Talarico, Giovanni; Nolan, Steven P.; Poater, Albert CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2021) DOI / 10.1002/chem.202101880 Hybrid

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Article Regioselectivity of the Pauson-Khand reaction in single-walled carbon nanotubes Pablo Martinez, Juan; Vizuete, Maria; Arellano, Luis M.; Poater, Albert; Matthias Bickelhaupt, F.; Langa, Fernando; Sola, Miguel NANOSCALE 2040-3364 (2018) DOI / 10.1039/c8nr03480j Green published, Green submitted, Hybrid

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Article Ascorbic Acid as a Bifunctional Hydrogen Bond Donor for the Synthesis of Cyclic Carbonates from CO2 under Ambient Conditions Arayachukiat, Sunatda; Kongtes, Chutima; Barthel, Alexander; Vummaleti, Sai V. C.; Poater, Albert; Wannakao, Sippakorn; Cavallo, Luigi; D'Elia, Valerio ACS SUSTAINABLE CHEMISTRY & ENGINEERING 2168-0485 (2017) DOI / 10.1021/acssuschemeng.7b01650 Green accepted

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Article Suzuki-Miyaura cross-coupling of esters by selective O-C(O) cleavage mediated by air- and moisture-stable [Pd(NHC)(mu-Cl)Cl](2) precatalysts: catalyst evaluation and mechanism Yang, Shiyi; Zhou, Tongliang; Poater, Albert; Cavallo, Luigi; Nolan, Steven P.; Szostak, Michal CATALYSIS SCIENCE & TECHNOLOGY 2044-4753 (2021) DOI / 10.1039/d1cy00312g

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Article Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts Bidal, Yannick D.; Urbina-Blanco, Cesar A.; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J. DALTON TRANSACTIONS 1477-9226 (2019) DOI / 10.1039/c9dt01811e Green accepted

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Article Covalent and Ionic Capacity of MOFs To Sorb Small Gas Molecules Poater, Jordi; Gimferrer, Marti; Poater, Albert INORGANIC CHEMISTRY 0020-1669 (2018) DOI / 10.1021/acs.inorgchem.8b00670

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Article Insights into mechanism and selectivity in ruthenium(ii)-catalysed ortho-arylation reactions directed by Lewis basic groups McIntyre, Jamie; Mayoral-Soler, Irene; Salvador, Pedro; Poater, Albert; Nelson, David J. CATALYSIS SCIENCE & TECHNOLOGY 2044-4753 (2018) DOI / 10.1039/c8cy00592c Green accepted

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Article Michael Acceptors Tuned by the Pivotal Aromaticity of Histidine to Block COVID-19 Activity Poater, Albert JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1948-7185 (2020) DOI / 10.1021/acs.jpclett.0c01828 Green published, Bronze

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Article Single-Site Molybdenum on Solid Support Materials for Catalytic Hydrogenation of N-2-into-NH3 Azofra, Luis Miguel; Morlanes, Natalia; Poater, Albert; Samantaray, Manoja K.; Vidjayacoumar, Balamurugan; Albahily, Khalid; Cavallo, Luigi; Basset, Jean-Marie ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 (2018) DOI / 10.1002/anie.201810409 Green submitted

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Article Metathesis of Classical and Functionalized Olefins Catalyzed by Silica-Supported Single-Site Well-Defined W and Mo Pre-catalysts Saidi, Aya; Samantaray, Manoja K.; Poater, Albert; Tretiakov, Mykyta; Cavallo, Luigi; Basset, Jean-Marie CHEMCATCHEM 1867-3880 (2020) DOI / 10.1002/cctc.202000897

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Article Phosphine-Free Ruthenium Complex-Catalyzed Synthesis of Mono- or Dialkylated Acyl Hydrazides via the Borrowing Hydrogen Strategy Joly, Nicolas; Bettoni, Leo; Gaillard, Sylvain; Poater, Albert; Renaud, Jean-Luc JOURNAL OF ORGANIC CHEMISTRY 0022-3263 (2021) DOI / 10.1021/acs.joc.1c00654

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Article Base-controlled product switch in the ruthenium-catalyzed protodecarbonylation of phthalimides: a mechanistic study D'Alterio, Massimo Christian; Yuan, Yu-Chao; Bruneau, Christian; Talarico, Giovanni; Gramage-Doria, Rafael; Poater, Albert CATALYSIS SCIENCE & TECHNOLOGY 2044-4753 (2020) DOI / 10.1039/c9cy02047k Green published

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Article Allyl Monitorization of the Regioselective Pd-Catalyzed Annulation of Alkylnyl Aryl Ethers Leading to Bismethylenechromanes Gimferrer, Marti; D'Alterio, Massimo Christian; Talarico, Giovanni; Minami, Yasunori; Hiyama, Tamejiro; Poater, Albert JOURNAL OF ORGANIC CHEMISTRY 0022-3263 (2020) DOI / 10.1021/acs.joc.0c01503

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Article Experimental and DFT study on titanium-based half-sandwich metallocene catalysts and their application for production of 1-hexene from ethylene Gharajedaghi, Sajjad; Mohamadnia, Zahra; Ahmadi, Ebrahim; Marefat, Mohamadreza; Pareras, Gerard; Simon, Silvia; Poater, Albert; Bahri-Laleh, Naeimeh MOLECULAR CATALYSIS 2468-8231 (2021) DOI / 10.1016/j.mcat.2021.111636 Green published, Hybrid

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Article Phenoxylation of Alkynes through Mono- and Dual Activation Using Group 11 (Cu, Ag, Au) Catalysts Ramos, Miguel; Poater, Jordi; Villegas-Escobar, Nery; Gimferrer, Marti; Toro-Labbe, Alejandro; Cavallo, Luigi; Poater, Albert EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 1434-1948 (2020) DOI / 10.1002/ejic.201901220 Green submitted

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Article Pd on nitrogen rich polymer?halloysite nanocomposite as an environmentally benign and sustainable catalyst for hydrogenation of polyalfaolefin based lubricants Karimi, Sahar; Bahri-Laleh, Naeimeh; Pareras, Gerard; Sadjadi, Samahe; Nekoomanesh-Haghighi, Mehdi; Poater, Albert JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY 1226-086X (2021) DOI / 10.1016/j.jiec.2021.02.031

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Article [Pd(NHC)(mu-Cl)Cl](2): Versatile and Highly Reactive Complexes for Cross-Coupling Reactions that Avoid Formation of Inactive Pd(I) Off-Cycle Products Zhou, Tongliang; Ma, Siyue; Nahra, Fady; Obled, Alan M. C.; Poater, Albert; Cavallo, Luigi; Cazin, Catherine S. J.; Nolan, Steven P.; Szostak, Michal ISCIENCE (2020) DOI / 10.1016/j.isci.2020.101377 Gold DOAJ, Green published

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Article Steric/pi-Electronic Insulation of the carbo-Benzene Ring: Dramatic Effects of tert-Butyl versus Phenyl Crowns on Geometric, Chromophoric, Redox, and Magnetic Properties Listunov, Dymytrii; Duhayon, Carine; Poater, Albert; Mazeres, Serge; Saquet, Alix; Maraval, Valerie; Chauvin, Remi CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 (2018) DOI / 10.1002/chem.201800835

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Article 1-Decene oligomerization by new complexes bearing diamine-diphenolates ligands: Effect of ligand structure Hanifpour, Ahad; Bahri-Laleh, Naeimeh; Nekoomanesh-Haghighi, Mehdi; Poater, Albert APPLIED ORGANOMETALLIC CHEMISTRY 0268-2605 (2021) DOI / 10.1002/aoc.6227

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Article Effect of Exocyclic Substituents and pi-System Length on the Electronic Structure of Chichibabin Diradical(oid)s Escayola, Silvia; Callis, Marc; Poater, Albert; Sola, Miquel ACS OMEGA 2470-1343 (2019) DOI / 10.1021/acsomega.9b00916 Gold, Green published

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Article Chelation enforcing a dual gold configuration in the catalytic hydroxyphenoxylation of alkynes Escayola, Silvia; Poater, Jordi; Ramos, Miguel; Luque-Urrutia, Jesus Antonio; Duran, Josep; Simon, Silvia; Sola, Miquel; Cavallo, Luigi; Nolan, Steven P.; Poater, Albert APPLIED ORGANOMETALLIC CHEMISTRY 0268-2605 (2021) DOI / 10.1002/aoc.6362 Hybrid, Green published

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Article Fluxional bis(phenoxy-imine) Zr and Ti catalysts for polymerization Escayola, Silvia; Brotons-Rufes, Artur; Bahri-Laleh, Naeimeh; Ragone, Francesco; Cavallo, Luigi; Sola, Miquel; Poater, Albert THEORETICAL CHEMISTRY ACCOUNTS (2021) DOI / 10.1007/s00214-021-02747-8

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Review Towards Dual-Metal Catalyzed Hydroalkoxylation of Alkynes Gonzalez-Belman, Oscar F.; Brotons-Rufes, Artur; Tomasini, Michele; Falivene, Laura; Caporaso, Lucia; Jimenez-Halla, Jose Oscar C.; Poater, Albert CATALYSTS (2021) DOI / 10.3390/catal11060704 Green published, Gold

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Article Exploring Basic Components Effect on the Catalytic Efficiency of Chevron-Phillips Catalyst in Ethylene Trimerization Naji-Rad, Ebtehal; Gimferrer, Marti; Bahri-Laleh, Naeimeh; Nekoomanesh-Haghighi, Mehdi; Jamjah, Roghieh; Poater, Albert CATALYSTS (2018) DOI / 10.3390/catal8060224 Gold, Green submitted, Green published

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Article The influence of the pH on the reaction mechanism of water oxidation by a Ru(bda) catalyst Luque-Urrutia, Jesus A.; Sola, Miquel; Poater, Albert CATALYSIS TODAY 0920-5861 (2020) DOI / 10.1016/j.cattod.2019.12.005

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Article Efficient hydro-finishing of polyalfaolefin based lubricants under mild reaction condition using Pd on ligands decorated halloysite Tabrizi, Mahtab; Sadjadi, Samahe; Pareras, Gerard; Nekoomanesh-Haghighi, Mehdi; Bahri-Laleh, Naeimeh; Poater, Albert JOURNAL OF COLLOID AND INTERFACE SCIENCE 0021-9797 (2021) DOI / 10.1016/j.jcis.2020.08.112

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Article Decomposition of the electronic activity in competing [5,6] and [6,6] cycloaddition reactions between C-60 and cyclopentadiene Villegas-Escobar, Nery; Poater, Albert; Sola, Miquel; Schaefer, Henry F., III; Toro-Labbe, Alejandro PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 (2019) DOI / 10.1039/c8cp07626j Green accepted

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Article The activity of indenylidene derivatives in olefin metathesis catalysts Voccia, Maria; Nolan, Steven P.; Cavallo, Luigi; Poater, Albert BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY 1860-5397 (2018) DOI / 10.3762/bjoc.14.275 Green published, Green submitted, Gold

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Article Mechanism of the Manganese-Pincer-Catalyzed Acceptorless Dehydrogenative Coupling of Nitriles and Alcohols Luque-Urrutia, Jesus A.; Sola, Miguel; Milstein, David; Poater, Albert JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 (2019) DOI / 10.1021/jacs.8b11308 Green accepted

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Article Coordinative chain transfer polymerization of 1-decene in the presence of a Ti-based diamine bis(phenolate) catalyst: a sustainable approach to produce low viscosity PAOs Hanifpour, Ahad; Bahri-Laleh, Naeimeh; Nekoomanesh-Haghighi, Mehdi; Poater, Albert GREEN CHEMISTRY 1463-9262 (2020) DOI / 10.1039/d0gc00439a

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Article Understanding the performance of a bisphosphonate Ru water oxidation catalyst Luque-Urrutia, Jesus A.; Kamdar, Jayneil M.; Grotjahn, Douglas B.; Sola, Miquel; Poater, Albert DALTON TRANSACTIONS 1477-9226 (2020) DOI / 10.1039/d0dt02253e Green submitted, Green accepted

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Article Intertwined chemistry of hydroxyl hydrogen-bond donors, epoxides and isocyanates in the organocatalytic synthesis of oxazolidinones versus isocyanurates: rational catalytic investigation and mechanistic understanding Yingcharoen, Prapussorn; Natongchai, Wuttichai; Poater, Albert; D'Elia, Valerio CATALYSIS SCIENCE & TECHNOLOGY 2044-4753 (2020) DOI / 10.1039/d0cy00987c

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Article Cyclopropenylidenephosphoranes: Rearrangement to Azetidinylidene-Methylphosphoniums Mboyi, Cleve Dionel; Poater, Albert; Poater, Jordi; Duhayon, Carine; Chauvin, Remi JOURNAL OF ORGANIC CHEMISTRY 0022-3263 (2020) DOI / 10.1021/acs.joc.0c00847

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Article Mechanistic Study of Suzuki-Miyaura Cross-Coupling Reactions of Amides Mediated by [Pd(NHC)(allyl)Cl] Precatalysts Li, Guangchen; Lei, Peng; Szostak, Michal; Casals-Cruanas, Eric; Poater, Albert; Cavallo, Luigi; Nolan, Steven P. CHEMCATCHEM 1867-3880 (2018) DOI / 10.1002/cctc.201800511 Green published, Bronze

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Review Review on the Use of Heavy Metal Deposits from Water Treatment Waste towards Catalytic Chemical Syntheses Das, Tushar Kanti; Poater, Albert INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2021) DOI / 10.3390/ijms222413383

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Article Ruthenium-Catalyzed Three-Component Alkylation: A Tandem Approach to the Synthesis of Nonsymmetric N,N-Dialkyl Acyl Hydrazides with Alcohols Bettoni, Leo; Joly, Nicolas; Lohier, Jean-Francois; Gaillard, Sylvain; Poater, Albert; Renaud, Jean-Luc ADVANCED SYNTHESIS & CATALYSIS 1615-4150 (2021) DOI / 10.1002/adsc.202100554

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Article Towards mild conditions by predictive catalysis via sterics in the Ru-catalyzed hydrogenation of thioesters Tomasini, Michele; Duran, Josep; Simon, Silvia; Azofra, Luis Miguel; Poater, Albert MOLECULAR CATALYSIS 2468-8231 (2021) DOI / 10.1016/j.mcat.2021.111692 Green published, Hybrid