Performance of group additivity methods for predicting the stability of uranyl complexes von Petrus, Enric, Bo, Carles

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Tuning and mechanistic insights of metal chalcogenide molecular catalysts for the hydrogen-evolution reaction von McAllister, James, Bandeira, Nuno A. G., McGlynn, Jessica C., Ganin, Alexey Y., Song, Yu-Fei, Bo, Carles, Miras, Haralampos N.

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Nucleation mechanisms and speciation of metal oxide clusters von Petrus, Enric, Segado, Mireia, Bo, Carles

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A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions von Guo, Wusheng, Gónzalez-Fabra, Joan, Bandeira, Nuno A. G., Bo, Carles, Kleij, Arjan W.

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Computational insights into aqueous speciation of metal-oxide nanoclusters: an in-depth study of the Keggin phosphomolybdate von Buils, Jordi, Garay-Ruiz, Diego, Segado-Centellas, Mireia, Petrus, Enric, Bo, Carles

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A DFT Study on the Mechanism of the Cycloaddition Reaction of CO2 to Epoxides Catalyzed by Zn(Salphen) Complexes von Castro-Gómez, Fernando, Salassa, Giovanni, Kleij, Arjan W., Bo, Carles

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Structure, properties and reactivity of polyoxometalates: a theoretical perspective von López, Xavier, Carbó, Jorge J, Bo, Carles, Poblet, Josep M

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Rationalizing the Mechanism of Peroxyformate Decomposition: Computational Insights To Understand Solvent Influence von Garay‐Ruiz, Diego, Bo, Carles

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Strategic Capture of the {Nb7} Polyoxometalate von Martin, Nicolas P., Petrus, Enric, Segado, Mireia, Arteaga, Ana, Zakharov, Lev N., Bo, Carles, Nyman, May

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Hierarchical Self-Assembly of Polyoxometalate-Based Hybrids Driven by Metal Coordination and Electrostatic Interactions: From Discrete Supramolecular Species to Dense Monodisperse... von Izzet, Guillaume, Abécassis, Benjamin, Brouri, Dalil, Piot, Madeleine, Matt, Benjamin, Serapian, Stefano Artin, Bo, Carles, Proust, Anna

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Efficient Vanadium‐Catalyzed Aerobic C−C Bond Oxidative Cleavage of Vicinal Diols von Amadio, Emanuele, González‐Fabra, Joan, Carraro, Davide, Denis, William, Gjoka, Blerina, Zonta, Cristiano, Bartik, Kristin, Cavani, Fabrizio, Solmi, Stefania, Bo, Carles, Licini, Giulia

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Chemical reaction network knowledge graphs: the OntoRXN ontology von Garay-Ruiz, Diego, Bo, Carles

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POMSimulator: An open‐source tool for predicting the aqueous speciation and self–assembly mechanisms of polyoxometalates von Petrus, Enric, Buils, Jordi, Garay‐Ruiz, Diego, Segado‐Centellas, Mireia, Bo, Carles

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Organocatalytic Trapping of Elusive Carbon Dioxide Based Heterocycles by a Kinetically Controlled Cascade Process von Qiao, Chang, Villar‐Yanez, Alba, Sprachmann, Josefine, Limburg, Bart, Bo, Carles, Kleij, Arjan W.

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Testing automatic methods to predict free binding energy of host–guest complexes in SAMPL7 challenge von Serillon, Dylan, Bo, Carles, Barril, Xavier

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A Mechanistic Rationale for the 9‑Amino(9-deoxy)epi Cinchona Alkaloids Catalyzed Asymmetric Reactions via Iminium Ion Activation of Enones von Moran, Antonio, Hamilton, Alex, Bo, Carles, Melchiorre, Paolo

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Bicyclic Guanidine Promoted Mechanistically Divergent Depolymerization and Recycling of a Biobased Polycarbonate von Lamparelli, David H., Villar‐Yanez, Alba, Dittrich, Lorenz, Rintjema, Jeroen, Bravo, Fernando, Bo, Carles, Kleij, Arjan W.

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Nanoconfinement of polyoxometalates in cyclodextrin: computational inspections of the binding affinity and experimental demonstrations of reactivity modulation von Segado-Centellas, Mireia, Falaise, Clément, Leclerc, Nathalie, Mpacko Priso, Gabrielle, Haouas, Mohamed, Cadot, Emmanuel, Bo, Carles

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A redox-active inorganic crown ether based on a polyoxometalate capsule von Tamai, Nanako, Ogiwara, Naoki, Hayashi, Eri, Kamata, Keigo, Misawa, Toshiyuki, Ito, Takeru, Kojima, Tatsuhiro, Segado, Mireia, Petrus, Enric, Bo, Carles, Uchida, Sayaka

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Exploring the self-assembly of dumbbell-shaped polyoxometalate hybrids, from molecular building units to nanostructured soft materials von Centellas, Mireia Segado, Piot, Madeleine, Salles, Raphaël, Proust, Anna, Tortech, Ludovic, Brouri, Dalil, Hupin, Sébastien, Abécassis, Benjamin, Landy, David, Bo, Carles, Izzet, Guillaume

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