Results: 873
Mehrdad Fallah, Naeimeh Bahri-Laleh, Khadijeh Didehban, Albert Poater
Interaction of common cocatalysts in Ziegler–Natta‐catalyzed olefin polymerization
Appl Organometal Chem, 2020, 34, e5333
DOI: 10.1002/aoc.5333OpenAccess: –Keywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms
Massimo Christian D’Alterio, Yu-Chao Yuan, Christian Bruneau, Giovanni Talarico, Rafael Gramage-Doria and Albert Poater
Base-controlled, product switch in the ruthenium-catalyzed protodecarbonylation of phthalimides: a mechanistic study
Catal. Sci. Technol., 2020, 10, 180-186
DOI: 10.1039/C9CY02047KOpenAccess: –Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis
Prapussorn Yingcharoen, Wuttichai Natongchai, Albert Poater, Valerio D’Elia
Intertwined chemistry of hydroxyl hydrogen-bond donors, epoxides and isocyanates in the organocatalytic synthesis of oxazolidinonesversus isocyanurates: rational catalytic investigation and mechanistic understanding
Catal. Sci. Technol. , 2020, 10, 5544-5558
DOI: 10.1039/D0CY00987COpenAccess: –Keywords: Catalysis, Computational chemistry, Cycloaddition, Reaction mechanisms, Sustainable Catalysis
Guangchen Li, Tongliang Zhou, Albert Poater, Luigi Cavallo, Steven P. Nolan, Michal Szostak
Buchwald-Hartwig Cross-Coupling of Amides (Transamidation) by Selective N–C(O) Cleavage Mediated by Air- and Moisture-Stable [Pd(NHC)(allyl)Cl] Precatalysts: Catalyst Evaluation and Mechanism
Catal. Sci. Technol., 2020, 10, 710-716
DOI: 10.1039/C9CY02080BOpenAccess: –Keywords: Catalysis, Computational chemistry, Cross-coupling reactions, Organometallics, Reaction mechanisms
Jesús A. Luque-Urrutia, Miquel Solà, Albert Poater
The influence of the pH on the reaction mechanism of water oxidation by a Ru(bda) catalyst
Catal. Today, 2020, 358, 278-283
DOI: 10.1016/j.cattod.2019.12.005OpenAccess: –Keywords: Catalysis, Computational chemistry, Oxidation, Reaction mechanisms, Sustainable Catalysis
Gerard Pareras, Davide Tiana, Albert Poater
MOF Encapsulation of Ru Olefin Metathesis Catalysts to Block Catalyst Decomposition
Catalysts, 2020, 10, 687-
DOI: 10.3390/catal10060687OpenAccess: LinkKeywords: Catalysis, Chemical bonding, Computational chemistry, Predictive Chemistry, Supramolecular chemistry
Carles Fuertes-Espinosa, Cristina García-Simón, Míriam Pujals, Marc Garcia-Borràs, Laura Gómez, Teodor Parella, Judit Juanhuix, Inhar Imaz, Daniel Maspoch, Miquel Costas, Xavi Ribas
Supramolecular Fullerene Sponges as Catalytic Masks for Regioselective Functionalization of C60
Chem, 2020, 6, 169-186
DOI: 10.1016/j.chempr.2019.10.010OpenAccess: –Keywords: Confined space, Fullerenes, Nanocages, Spectroscopy, Supramolecular chemistry
Dandan Chen, Dariusz Szczepanik, Jun Zhu, Miquel Solà
All-metal Baird aromaticity
Chem. Commun., 2020, 56, 12522-12525
DOI: 10.1039/D0CC05586GOpenAccess: –Keywords: Aromaticity, Chemical bonding, Excited states, Organometallics
Anton J. Stasyuk, Olga A. Stasyuk, Miquel Solà, Alexander A. Voityuk
Photoinduced electron transfer in nanotube⊃C70 inclusion complexes: pheninevs . nanographene nanotubes
Chem. Commun., 2020, 56, 12624-12627
DOI: 10.1039/D0CC04261GOpenAccess: –Keywords: Electron and energy transfer, Excited states, Fullerenes, Photovoltaic materials
Anton J. Stasyuk, Olga A. Stasyuk, Miquel Solà, Alexander A. Voityuk
Cyclo[18]carbon: the smallest all-carbon electron acceptor
Chem. Commun., 2020, 56, 352-355
DOI: 10.1039/c9cc08399eOpenAccess: –Keywords: Density Functional Theory, Electron and energy transfer, Electron delocalization, Excited states, Photochemistry