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Verònica Postils, Mònica Rodríguez, Gerard Sabenya, Ana Conde, M. Mar Díaz-Requejo, Pedro J. Pérez, Miquel Costas, Miquel Solà, Josep M. Luis
Mechanism of the Selective Fe-Catalyzed Arene Carbon–Hydrogen Bond Functionalization
ACS Catal., 2018, 8, 4313-4322
DOI: 10.1021/acscatal.7b03935
Keywords: Catalysis, Density Functional Theory, Organometallics, Reaction mechanisms, Sustainable Catalysis

Juan Chen, Apparao Draksharapu, Davide Angelone, Duenpen Unjaroen, Sandeep K. Padamati, Ronald Hage, Marcel Swart, Carole Duboc, Wesley R. Browne
H₂O₂ Oxidation by FeIII-OOH Intermediates and its Impact on Catalytic Efficiency
ACS Catal., 2018, 8, 9665–9674
DOI: 10.1021/acscatal.8b02326
Keywords: Catalysis, Density Functional Theory, High-valent metal complexes, Reaction mechanisms, Homogeneous catalysis

Margarida Borrell, Miquel Costas
Greening Oxidation Catalysis: Iron Catalyzed Alkenesyn -Dihydroxylation with Aqueous Hydrogen Peroxide in Green Solvents
ACS Sustainable Chem. Eng., 2018, 6, 8410-8416
DOI: 10.1021/acssuschemeng.8b00542
Keywords: Catalysis, Oxidation, Reaction mechanisms, Sustainable Catalysis

Sylwia E. Kutniewska, Katarzyna N. Jarzembska, Radosław Kamiński, Anton J. Stasyuk, Daniel T. Gryko, Michał K. Cyrański
Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2′-hydroxyphenyl)imidazo[1,2-a ]pyridines and 1,2-phenylenediboronic acid
Acta Crystallogr Sect B Struct Sci, 2018, 74, 725-737
DOI: 10.1107/S2052520618015469

Oriol Planas, Paula G. Chirila, Christopher J. Whiteoak and Xavi Ribas
Chapter Four – Current Mechanistic Understanding of Cobalt-Catalyzed C–H Functionalization
Adv Organomet Chem, 2018, 69, 209-282
DOI: 10.1016/bs.adomc.2018.02.002
Keywords: Catalysis, Cross-coupling reactions, Organometallics, Reaction mechanisms, Sustainable Catalysis

Javier López-Andarias, Sara H. Mejías, Tsuneaki Sakurai, Wakana Matsuda, Shu Seki, Ferran Feixas, Sílvia Osuna, Carmen Atienza, Nazario Martín, Aitziber L. Cortajarena
Toward Bioelectronic Nanomaterials: Photoconductivity in Protein–Porphyrin Hybrids Wrapped around SWCNT
Adv. Funct. Mater., 2018, 28, 1704031
DOI: 10.1002/adfm.201704031
Keywords: Computational chemistry, Fullerenes

Verònica Postils, Carlos Delgado-Alonso, Josep M. Luis, Pedro Salvador
An Objective Alternative to IUPAC’s Approach to Assign Oxidation States
Angew. Chem. Int. Ed., 2018, 57, 10525-10529
DOI: 10.1002/anie.201802745
Keywords: Chemical bonding, Method development, Organometallics, Real-space analysis

Carles Fuertes-Espinosa, Alejandra Gómez-Torres, Roser Morales-Martínez, Antonio Rodríguez-Fortea, Cristina García-Simón, Felipe Gándara, Inhar Imaz, Judith Juanhuix, Daniel Maspoch, Josep M. 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

Luis Miguel Azofra, Natalia Morlanés, Albert Poater, Manoja K. Samantaray, Balamurugan Vidjayacoumar, Khalid Albahily, Luigi Cavallo, Jean-Marie Basset
Single-Site Molybdenum on Solid Support Materials for Catalytic Hydrogenation of N₂ -into-NH₃
Angew. Chem. Int. Ed., 2018, 57, 15812-15816
DOI: 10.1002/anie.201810409
Keywords: Catalysis, Computational chemistry, Density Functional Theory, Predictive Chemistry, Reaction mechanisms

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