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Enric Petrus
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Strategic Capture of the {Nb7} Polyoxometalate
NP Martin, E Petrus, M Segado, A Arteaga, LN Zakharov, C Bo, M Nyman
Chemistry–A European Journal 25 (45), 10580-10584, 2019
352019
Nucleation mechanisms and speciation of metal oxide clusters
E Petrus, M Segado, C Bo
Chemical Science 11 (32), 8448-8456, 2020
282020
Computational Prediction of Speciation Diagrams and Nucleation Mechanisms: Molecular Vanadium, Niobium and Tantalum Oxide Nanoclusters in Solution
E Petrus, M Segado-Centellas, C Bo
Inorganic Chemistry 61 (35), 13708–13718, 2022
132022
Unlocking phase diagrams for molybdenum and tungsten nanoclusters and prediction of their formation constants
E Petrus, C Bo
The Journal of Physical Chemistry A 125 (23), 5212-5219, 2021
122021
Multi-Time-Scale Simulation of Complex Reactive Mixtures: How Do Polyoxometalates Form?
E Petrus, D Garay-Ruiz, M Reiher, C Bo
Journal of the American Chemical Society 145 (34), 18920-18930, 2023
112023
Predicting solubility of ion pairs in aqueous inorganic chemistry
T Rahman, E Petrus, M Segado, N Martin, L Palys, MA Rambaran, ...
Angewandte Chemie International Edition, 2022
11*2022
Unveiling a photoinduced hydrogen evolution reaction mechanism via the concerted formation of uranyl peroxide
E Petrus, M Segado, NAG Bandeira, C Bo
Inorganic Chemistry 59 (12), 8353-8360, 2020
102020
A redox-active inorganic crown ether based on a polyoxometalate capsule
N Tamai, N Ogiwara, E Hayashi, K Kamata, T Misawa, T Ito, T Kojima, ...
Chemical Science 14 (20), 5453-5459, 2023
62023
Performance of group additivity methods for predicting the stability of uranyl complexes
E Petrus, C Bo
Journal of Computational Chemistry 41 (11), 1124-1129, 2020
42020
POMSimulator: An open‐source tool for predicting the aqueous speciation and self–assembly mechanisms of polyoxometalates
E Petrus, J Buils, D Garay‐Ruiz, M Segado‐Centellas, C Bo
Journal of Computational Chemistry, 2024
32024
Computational insights into aqueous speciation of metal-oxide nanoclusters: an in-depth study of the Keggin phosphomolybdate
J Buils, D Garay-Ruiz, M Segado-Centellas, E Petrus, C Bo
Chemical Science 15 (35), 14218-14227, 2024
32024
Towards a Universal Scaling Method for Predicting Equilibrium Constants of Polyoxometalates
J Buils, D Garay-Ruiz, E Petrus, M Segado-Centellas, C Bo
2024
Nous mètodes computacionals basats en grafs per a tractar la reactivitat química i la catàlisi
D Garay-Ruiz, E Petrus, C Bo
Revista de la Societat Catalana de Química, 23-38, 2023
2023
CSD 2114453: Experimental Crystal Structure Determination
SM Posokhova, VA Morozov, DV Deyneko, BS Redkin, DA Spassky, ...
(No Title), 2023
2023
POMSimulator: A method for understanding the Multi-Equilibria and Self-Assembly Processes of Polyoxometalates
E Petrus
Universitat Rovira i Virgili. Departament de Química Analítica i Química …, 2022
2022
Propietats electròniques i reactivitat dels compostos d'uranil
E Petrus, C Bo
Universitat Rovira i Virgili, 2017
2017
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