2023

  • Petrus, E.; Garay-Ruiz, D.; Reiher, M.; Bo, C. Multi-Time-Scale Simulation of Complex Reactive Mixtures: How Do Polyoxometalates Form? J. Am. Chem. Soc. 2023, 145, 34, 18920-18930; 10.1021/jacs.3c05514

  • Tamai, N.; Ogiwara, N.; Hayashi, E.; Kamata, K.; Misaya, T.; Ito, T.; Kojima, T.; Segado, M.; Petrus, E.; Bo, C.; Uchida, S. A redox-active inorganic crown ether based on a polyoxometalate capsule Chem. Sci. 2023, 14, 20, 5453-5459; 10.1039/D3SC01077E

2022

  • Rahman, T.; Petrus, E.; Segado, M.; Martin, N. P.; Palys, L. N.; Rambaran, M. A.; Ohlin, A.; Bo, C.; Nyman, M. Predicting the Solubility of Inorganic Ion Pairs in Water Angew. Chem. Int. Ed. 2022, 61, e202117839; 10.1002/anie.202117839

  • Petrus, E.; Segado, M.; Bo, C. Computational Prediction of Speciation Diagrams and Nucleation Mechanisms: Molecular Vanadium, Niobium and Tantalum Oxide Nanoclusters in Solution Inorg. Chem. 2022, 61, 35, 13708–13718. 10.1021/acs.inorgchem.2c00925; Preprint Available at chemrxiv-2022-2pt95

2021

  • Petrus, E.; Bo, C. Unlocking Phase Diagrams for Molybdenum and Tungsten Nanoclusters and Prediction of their Formation Constants. J. Phys. Chem. A 2021, 125, 23, 5212–5219. doi.org/10.1021/acs.jpca.1c03292; Preprint Available at chemrxiv.14292119

2020

  • Petrus, E.; Segado, M.; Bo, C. Nucleation Mechanisms and Speciation of Metal Oxide Clusters. Chem. Sci. 2020, 11, 8448-8456. doi.org/10.1039/D0SC03530K; Preprint Available at chemrxiv.12639269.v1

  • Petrus, E.; Segado, M.; Bandeira, N. A. G.; Bo, C. Unveiling a Photoinduced Hydrogen Evolution Reaction Mechanism via the Concerted Formation of Uranyl Peroxide. Inorg. Chem. 2020, 59 (12), 8353–8360. doi.org/10.1021/acs.inorgchem.0c00757

  • Petrus, E.; Bo, C. Performance of Group Additivity Methods for Predicting the Stability of Uranyl Complexes. J. Comput. Chem. 2020, 41 (11), 1124–1129. doi.org/10.1002/jcc.26157

2019

  • Martin, N. P.; Petrus, E.; Segado, M.; Arteaga, A.; Zakharov, L. N.; Bo, C.; Nyman, M. Strategic Capture of the {Nb7} Polyoxometalate. Chem. - A Eur. J. 2019, 10580–10584. doi.org/10.1002/chem.201902770