Search Results - "Poater, Albert"

Review on the Use of Heavy Metal Deposits from Water Treatment Waste towards Catalytic Chemical Syntheses by Das, Tushar Kanti, Poater, Albert

“…The toxicity and persistence of heavy metals has become a serious problem for humans. These heavy metals accumulate mainly in wastewater from various…”
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Towards the online computer-aided design of catalytic pockets by Falivene, Laura, Cao, Zhen, Petta, Andrea, Serra, Luigi, Poater, Albert, Oliva, Romina, Scarano, Vittorio, Cavallo, Luigi

“…The engineering of catalysts with desirable properties can be accelerated by computer-aided design. To achieve this aim, features of molecular catalysts can be…”
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Understanding the M (NHC) (NHC = N-heterocyclic carbene) bond by Jacobsen, Heiko, Correa, Andrea, Poater, Albert, Costabile, Chiara, Cavallo, Luigi

“…N-heterocyclic carbenes (NHC) is a well established class of new ligands in organometallic chemistry. Their use as ligands in many reactions catalyzed by…”
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Mechanistic Aspects of the Palladium‐Catalyzed Suzuki‐Miyaura Cross‐Coupling Reaction by D'Alterio, Massimo C., Casals‐Cruañas, Èric, Tzouras, Nikolaos V., Talarico, Giovanni, Nolan, Steven P., Poater, Albert

“…The story of C−C bond formation includes several reactions, and surely Suzuki‐Miyaura is among the most outstanding ones. Herein, a brief historical overview…”
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Ligand-Controlled Chemoselective C(acyl)–O Bond vs C(aryl)–C Bond Activation of Aromatic Esters in Nickel Catalyzed C(sp2)–C(sp3) Cross-Couplings by Chatupheeraphat, Adisak, Liao, Hsuan-Hung, Srimontree, Watchara, Guo, Lin, Minenkov, Yury, Poater, Albert, Cavallo, Luigi, Rueping, Magnus

“…A ligand-controlled and site-selective nickel catalyzed Suzuki–Miyaura cross-coupling reaction with aromatic esters and alkyl organoboron reagents as coupling…”
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SambVca: A Web Application for the Calculation of the Buried Volume of N-Heterocyclic Carbene Ligands by Poater, Albert, Cosenza, Biagio, Correa, Andrea, Giudice, Simona, Ragone, Francesco, Scarano, Vittorio, Cavallo, Luigi

“…We present a free web application for the calculation of the buried volume (% VBur) of NHC ligands. The web application provides a graphic and user‐friendly…”
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Comparing the Enantioselective Power of Steric and Electrostatic Effects in Transition-Metal-Catalyzed Asymmetric Synthesis by Poater, Albert, Ragone, Francesco, Mariz, Ronaldo, Dorta, Reto, Cavallo, Luigi

“…The current approach to improve and tune the enantioselective performances of transition‐metal catalysts for asymmetric synthesis is mostly focused to…”
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Free-Radical Photopolymerization for Curing Products for Refinish Coatings Market by Ribas-Massonis, Aina, Cicujano, Magalí, Duran, Josep, Besalú, Emili, Poater, Albert

“…Even though there are many photocurable compositions that are cured by cationic photopolymerization mechanisms, UV curing generally consists of the formation…”
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Assessing the pKa‐Dependent Activity of Hydroxyl Hydrogen Bond Donors in the Organocatalyzed Cycloaddition of Carbon Dioxide to Epoxides: Experimental and Theoretical Study by Yingcharoen, Prapussorn, Kongtes, Chutima, Arayachukiat, Sunatda, Suvarnapunya, Kittipong, Vummaleti, Sai V. C., Wannakao, Sippakorn, Cavallo, Luigi, Poater, Albert, D' Elia, Valerio

“…The development of hydrogen bond donors (HBDs) as catalytic moieties in the cycloaddition of carbon dioxide to epoxides is an active field of research to…”
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SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps by Falivene, Laura, Credendino, Raffaele, Poater, Albert, Petta, Andrea, Serra, Luigi, Oliva, Romina, Scarano, Vittorio, Cavallo, Luigi

“…Developing more efficient catalysts remains one of the primary targets of organometallic chemists. To accelerate reaching this goal, effective molecular…”
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The Fundamental Noninnocent Role of Water for the Hydrogenation of Nitrous Oxide by PNP Pincer Ru-based Catalysts by Luque-Urrutia, Jesús A, Poater, Albert

“…The hydrogenation of nitrous oxide by PNP pincer ruthenium complexes supposes a promising way to functionalize a hazardous gas and reduce the greenhouse…”
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Hydrophenoxylation of alkynes by gold catalysts: a mini review by Ramos, Miguel, Solà, Miquel, Poater, Albert

“…Context The field of chemistry has significantly evolved, with catalysis playing a crucial role in transforming chemical processes. From Valerius’ use of…”
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Mechanism of the Suzuki–Miyaura Cross-Coupling Reaction Mediated by [Pd(NHC)(allyl)Cl] Precatalysts by Meconi, Giulia Magi, Vummaleti, Sai Vikrama Chaitanya, Luque-Urrutia, Jesús Antonio, Belanzoni, Paola, Nolan, Steven P, Jacobsen, Heiko, Cavallo, Luigi, Solà, Miquel, Poater, Albert

“…Density functional theory calculations have been used to investigate the activation mechanism for the precatalyst series [Pd]-X-1–4 derived from…”
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Ascorbic Acid as a Bifunctional Hydrogen Bond Donor for the Synthesis of Cyclic Carbonates from CO2 under Ambient Conditions by Arayachukiat, Sunatda, Kongtes, Chutima, Barthel, Alexander, Vummaleti, Sai V. C, Poater, Albert, Wannakao, Sippakorn, Cavallo, Luigi, D’Elia, Valerio

“…Readily available ascorbic acid was discovered as an environmentally benign hydrogen bond donor for the synthesis of cyclic organic carbonates from CO2 and…”
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Preserving precise choreography of bonds in Z-stereoretentive olefin metathesis by using quinoxaline-2,3-dithiolate ligand by Grzesiński, Łukasz, Nadirova, Maryana, Guschlbauer, Jannick, Brotons-Rufes, Artur, Poater, Albert, Kajetanowicz, Anna, Grela, Karol

“…The Z -alkene geometry is prevalent in various chemical compounds, including numerous building blocks, fine chemicals, and natural products. Unfortunately,…”
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Study of the effect of the ligand structure on the catalytic activity of Pd@ ligand decorated halloysite: Combination of experimental and computational studies by Dehghani, Sevda, Sadjadi, Samahe, Bahri‐Laleh, Naeimeh, Nekoomanesh‐Haghighi, Mehdi, Poater, Albert

“…Taking advantage of computational chemistry, the best diamine for the synthesis of a multi‐dentate ligand from the reaction with 3‐(trimethoxysilyl)…”
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Versatile deprotonated NHC: C,N-bridged dinuclear iridium and rhodium complexes by Poater, Albert

“…Bearing the versatility of N-heterocyclic carbene (NHC) ligands, here density functional theory (DFT) calculations unravel the capacity of coordination of a…”
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Mechanistic Study of Suzuki–Miyaura Cross‐Coupling Reactions of Amides Mediated by [Pd(NHC)(allyl)Cl] Precatalysts by Li, Guangchen, Lei, Peng, Szostak, Michal, Casals‐Cruañas, Eric, Poater, Albert, Cavallo, Luigi, Nolan, Steven P.

“…We report a combined experimental and computational investigation of the Suzuki–Miyaura cross‐coupling of amides enabled by [Pd(NHC)(allyl)Cl] precatalysts…”
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Carbon Dioxide Conversion on Supported Metal Nanoparticles: A Brief Review by Sergio Posada-Pérez, Miquel Solà, Albert Poater

“…The increasing concentration of anthropogenic CO2 in the air is one of the main causes of global warming. The Paris Agreement at COP 21 aims to reach the…”
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Pd on nitrogen rich polymer–halloysite nanocomposite as an environmentally benign and sustainable catalyst for hydrogenation of polyalfaolefin based lubricants by Karimi, Sahar, Bahri-Laleh, Naeimeh, Pareras, Gerard, Sadjadi, Samahe, Nekoomanesh-Haghighi, Mehdi, Poater, Albert

“…[Display omitted] Considering the importance of hydrofinishing of poly alpha-olefin oils from the industrial point of view, in this research both computational…”
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