Carles Bo

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 28

Top Topics

Molecular Dynamics

Top Venues

Chemical science

Chemistry (Weinheim an der Bergstrasse, Germany)

Inorganic chemistry

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Jordi Buils, Diego Garay-Ruiz, Mireia Segado Centellas, Enric Petrus, Carles Bo
Computational insights into aqueous speciation of metal-oxide nanoclusters: an in-depth study of the Keggin phosphomolybdate. Chemical science (2024)
Mireia Segado Centellas, Clement Falaise, Nathalie Leclerc, Gabrielle Mpacko Priso, Mohamed Haouas, Emmanuel Cadot, Carles Bo
Nanoconfinement of polyoxometalates in cyclodextrin: computational inspections of the binding affinity and experimental demonstrations of reactivity modulation. Chemical science (2024)
Jordi Buils, Diego Garay-Ruiz, Mireia Segado Centellas, Enric Petrus, Carles Bo
Computational insights into aqueous speciation of metal-oxide nanoclusters: an in-depth study of the Keggin phosphomolybdate. Chemical science (2024)
Diego Garay-Ruiz, Cristiano Zonta, Silvia Lovat, Fátima Sanz Azcona, Joan González-Fabra, Carles Bo, Giulia Licini
Periodic Trends and Fluxionality Effects on Transition Metal Catalyzed Sulfoxidation. ACS omega 9 (37) (2024)
Enric Petrus, Diego Garay-Ruiz, Markus Reiher, Carles Bo
Multi-Time-Scale Simulation of Complex Reactive Mixtures: How Do Polyoxometalates Form? Journal of the American Chemical Society (2023)
Nanako Tamai, Naoki Ogiwara, Eri Hayashi, Keigo Kamata, Toshiyuki Misawa, Takeru Ito, Tatsuhiro Kojima, Mireia Segado Centellas, Enric Petrus, Carles Bo, Sayaka Uchida
A redox-active inorganic crown ether based on a polyoxometalate capsule. Chemical science 14 (20) (2023)
Diego Garay-Ruiz, Moises Álvarez-Moreno, Carles Bo, Emilio Martínez-Núñez
New Tools for Taming Complex Reaction Networks: The Unimolecular Decomposition of Indole Revisited. ACS physical chemistry Au 2 (3) (2022)
Kun Guo, Qian Zeng, Alba Villar-Yanez, Carles Bo, Arjan W Kleij
Ni-Catalyzed Decarboxylative Silylation of Alkynyl Carbonates: Access to Chiral Allenes via Enantiospecific Conversions. Organic letters 24 (2) (2022)
Diamantoula Maniaki, Diego Garay-Ruiz, Leoní A Barrios, Daniel O T A Martins, David Aguilà, Floriana Tuna, Daniel Reta, Olivier Roubeau, Carles Bo, Guillem Aromí
Unparalleled selectivity and electronic structure of heterometallic [LnLn'Ln] molecules as 3-qubit quantum gates. Chemical science 13 (19) (2022)
Enric Petrus, Mireia Segado-Centellas, Carles Bo
Computational Prediction of Speciation Diagrams and Nucleation Mechanisms: Molecular Vanadium, Niobium, and Tantalum Oxide Nanoclusters in Solution. Inorganic chemistry 61 (35) (2022)
Manal Diab, Ana Mateo, Joumada El Cheikh, Zeinab El Hajj, Mohamed Haouas, Alireza Ranjbari, Vincent Guérineau, David Touboul, Nathalie Leclerc, Emmanuel Cadot, Daoud Naoufal, Carles Bo, Sébastien Floquet
Grafting of Anionic Decahydro- Closo -Decaborate Clusters on Keggin and Dawson-Type Polyoxometalates: Syntheses, Studies in Solution, DFT Calculations and Electrochemical Properties. Molecules (Basel, Switzerland) 27 (22) (2022)
Diego Garay-Ruiz, Moises Álvarez-Moreno, Carles Bo, Emilio Martínez-Núñez
New Tools for Taming Complex Reaction Networks: The Unimolecular Decomposition of Indole Revisited. ACS physical chemistry Au 2 (3) (2022)
Diego Garay-Ruiz, Cristiano Zonta, Silvia Lovat, Joan González-Fabra, Carles Bo, Giulia Licini
Elucidating Sulfide Activation Mode in Metal-Catalyzed Sulfoxidation Reactivity. Inorganic chemistry 61 (10) (2022)
Enric Petrus, Carles Bo
Unlocking Phase Diagrams for Molybdenum and Tungsten Nanoclusters and Prediction of their Formation Constants. The journal of physical chemistry. A 125 (23) (2021)
Enric Petrus, Mireia Segado, Carles Bo
Nucleation mechanisms and speciation of metal oxide clusters. Chemical science 11 (32) (2020)
Mireia Segado Centellas, Madeleine Piot, Raphaël Salles, Anna Proust, Ludovic Tortech, Dalil Brouri, Sébastien Hupin, Benjamin Abécassis, David Landy, Carles Bo, Guillaume Izzet
Exploring the self-assembly of dumbbell-shaped polyoxometalate hybrids, from molecular building units to nanostructured soft materials. Chemical science 11 (40) (2020)
Enric Petrus, Mireia Segado, Nuno A G Bandeira, Carles Bo
Unveiling a Photoinduced Hydrogen Evolution Reaction Mechanism via the Concerted Formation of Uranyl Peroxide. Inorganic chemistry 59 (12) (2020)
Enric Petrus, Carles Bo
Performance of group additivity methods for predicting the stability of uranyl complexes. Journal of computational chemistry 41 (11) (2020)
Mireia Segado Centellas, May Nyman, Carles Bo
Aggregation Patterns in Low- and High-Charge Anions Define Opposite Solubility Trends. The journal of physical chemistry. B 123 (49) (2019)
Nicolas P Martin, Enric Petrus, Mireia Segado Centellas, Ana Arteaga, Lev N Zakharov, Carles Bo, May Nyman
Strategic Capture of the {Nb7 } Polyoxometalate. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (45) (2019)
Dolores Melgar, Nuno A G Bandeira, Josep Bonet Avalos, Carles Bo
Anions coordinating anions: analysis of the interaction between anionic Keplerate nanocapsules and their anionic ligands. Physical chemistry chemical physics : PCCP 19 (7) (2018)
Dylan J Sures, Stefano Artin Serapian, Károly Kozma, Pedro I Molina, Carles Bo, May Nyman
Electronic and relativistic contributions to ion-pairing in polyoxometalate model systems. Physical chemistry chemical physics : PCCP 19 (13) (2018)
Dylan J Sures, Mireia Segado, Carles Bo, May Nyman
Alkali-Driven Disassembly and Reassembly of Molecular Niobium Oxide in Water. Journal of the American Chemical Society 140 (34) (2018)
Dolores Melgar, Nuno A G Bandeira, Carles Bo
Electronic Structure Studies on the Whole Keplerate Family: Predicting New Members. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (22) (2017)
Joan González-Fabra, Fernando Castro-Gómez, Arjan W Kleij, Carles Bo
Mechanistic Insights into the Carbon Dioxide/Cyclohexene Oxide Copolymerization Reaction: Is One Metal Center Enough? ChemSusChem 10 (6) (2017)
Ekaterina S Smirnova, José María Muñoz-Molina, Alice Johnson, Nuno A G Bandeira, Carles Bo, Antonio M Echavarren
Polynuclear Gold [Au(I) ]4 , [Au(I) ]8 , and Bimetallic [Au(I) 4 Ag(I) ] Complexes: C-H Functionalization of Carbonyl Compounds and Homogeneous Carbonylation of Amines. Angewandte Chemie (International ed. in English) 55 (26) (2016)
Stefano Artin Serapian, Carles Bo
Simulating the Favorable Aggregation of Monolacunary Keggin Anions. The journal of physical chemistry. B 120 (50) (2016)
Elisa Huerta, Stefano Artin Serapian, Eva Santos, Enrique Cequier, Carles Bo, Javier de Mendoza
Molecular Basis for the Recognition of Higher Fullerenes into Ureidopyrimidinone-Cyclotriveratrylene Self-Assembled Capsules. Chemistry (Weinheim an der Bergstrasse, Germany) 22 (38) (2016)