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Carles Fuertes-Espinosa, Alejandra Gómez-Torres, Roser Morales-Martínez, Antonio Rodríguez-Fortea, Cristina García-Simón, Felipe Gándara, Inhar Imaz, Judith Juanhuix, Daniel Maspoch, JosepM. Poblet, Luis Echegoyen, Xavi Ribas
Purification of Uranium-based Endohedral Metallofullerenes (EMFs) by Selective Supramolecular Encapsulation and Release
Angew. Chem. Int. Ed., 2018, 57, 11294-11299
DOI: 10.1002/anie.201806140
Keywords: Endohedral fullerenes, Fullerenes, Nanocages, Supramolecular chemistry

Chongwei Zhu, Albert Poater, Carine Duhayon, Brice Kauffmann, Alix Saquet, Valérie Maraval, Remi Chauvin
Carbo -biphenyls andCarbo -terphenyls: Oligo(phenylene ethynylene) RingCarbo -mers
Angew. Chem. Int. Ed., 2018, 57, 5640-5644
DOI: 10.1002/anie.201713411
Keywords: Aromaticity, Computational chemistry, Density Functional Theory, Molecular similarity, Supramolecular chemistry

Anna Pla-Quintana, Anna Roglans
Chiral induction in [2+2+2] cycloaddition reactions
Asian J. Org. Chem., 2018, 7, 1706-1718
DOI: 10.1002/ajoc.201800291
Keywords: Cycloaddition, Organometallics

Jamie McIntyre, Irene Mayoral-Soler, Pedro Salvador, Albert Poater, DavidJ. Nelson
Insights into mechanism and selectivity in ruthenium(ii )-catalysedortho -arylation reactions directed by Lewis basic groups
Catal. Sci. Technol., 2018, 8, 3174-3182
DOI: 10.1039/c8cy00592c
Keywords: Catalysis, Computational chemistry, Density Functional Theory, Organometallics, Reaction mechanisms

OscarF. González-Belman, J.OscarC. Jiménez-Halla, Fady Nahra, CatherineS.J. Cazin, Albert Poater
The role of the metal in the dual-metal catalysed hydrophenoxylation of diphenylacetylene
Catal. Sci. Technol., 2018, 8, 3638-3648
DOI: 10.1039/c8cy00510a
Keywords: Catalysis, Computational chemistry, Organometallics, Predictive Chemistry, Reaction mechanisms

Ebtehal Naji-Rad, Martí Gimferrer, Naeimeh Bahri-Laleh, Mehdi Nekoomanesh-Haghighi, Roghieh Jamjah, Albert Poater
Exploring Basic Components Effect on the Catalytic Efficiency of Chevron-Phillips Catalyst in Ethylene Trimerization
Catalysts, 2018, 8, 224-
DOI: 10.3390/catal8060224
Keywords: Catalysis, Chemical bonding, Density Functional Theory, Organometallics, Reaction mechanisms

Miguel A. Maria-Solano, Eila Serrano-Hervás, Adrian Romero-Rivera, Javier Iglesias-Fernández, Sílvia Osuna
Role of conformational dynamics in the evolution of novel enzyme function
Chem. Commun., 2018, 54, 6622-6634
DOI: 10.1039/C8CC02426J
Keywords: Catalysis, Enzyme design

Michela Milan, Massimo Bietti, Miquel Costas
Enantioselective aliphatic C–H bond oxidation catalyzed by bioinspired complexes
Chem. Commun., 2018, 54, 9559-9570
DOI: 10.1039/C8CC03165G
Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis

Albert Artigas, Anna Pla-Quintana, Agustí Lledó, Anna Roglans, Miquel Solà
Expeditious Preparation of Open-Cage Fullerenes by Rhodium(I)-Catalyzed [2+2+2] Cycloaddition of Diynes and C60: an Experimental and Theoretical Study
Chem. Eur. J., 2018, 24, 10653-10661
DOI: 10.1002/chem.201802298
Keywords: Catalysis, Cycloaddition, Density Functional Theory, Fullerenes, Reaction mechanisms

Dymytrii Listunov, Carine Duhayon, Albert Poater, Serge Mazères, Alix Saquet, Valérie Maraval, Remi Chauvin
Steric/π-Electronic Insulation of thecarbo -Benzene Ring: Dramatic Effects oftert -Butyl versus Phenyl Crowns on Geometric, Chromophoric, Redox, and Magnetic Properties
Chem. Eur. J., 2018, 24, 10699-10710
DOI: 10.1002/chem.201800835
Keywords: Ab initio theory, Aromaticity, Computational chemistry, Density Functional Theory, Fullerenes

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