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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Supramolecular Anchoring of Fe(III) Molecular Redox Catalysts into Graphitic Surfaces Via CH‐π and π–π Interactions for CO2 Electroreduction von Luo, Zhi‐Mei, Wang, Jia‐Wei, Nicaso, Marco, Gil‐Sepulcre, Marcos, Solano, Eduardo, Nikolaou, Vasilis, Benet, Jordi, Segado‐Centellas, Mireia, Bo, Carles, Llobet, Antoni

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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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A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule von Egidi, Franco, Segado, Mireia, Koch, Henrik, Cappelli, Chiara, Barone, Vincenzo

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Excitation Dynamics in Hetero-bichromophoric Calixarene Systems von Tosi, Irene, Segado Centellas, Mireia, Campioli, Elisa, Iagatti, Alessandro, Lapini, Andrea, Sissa, Cristina, Baldini, Laura, Cappelli, Chiara, Di Donato, Mariangela, Sansone, Francesco, Santoro, Fabrizio, Terenziani, Francesca

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Supramolecular Anchoring of Fe(III) Molecular Redox Catalysts into Graphitic Surfaces Via CH-π and π-π Interactions for CO 2 Electroreduction von Luo, Zhi-Mei, Wang, Jia-Wei, Nicaso, Marco, Gil-Sepulcre, Marcos, Solano, Eduardo, Nikolaou, Vasilis, Benet, Jordi, Segado-Centellas, Mireia, Bo, Carles, Llobet, Antoni

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Supramolecular Anchoring of Fe(III) Molecular Redox Catalysts into Graphitic Surfaces Via CH‐π and π–π Interactions for CO2 Electroreduction von Luo, Zhi‐Mei, Wang, Jia‐Wei, Nicaso, Marco, Gil‐Sepulcre, Marcos, Solano, Eduardo, Nikolaou, Vasilis, Benet, Jordi, Segado‐Centellas, Mireia, Bo, Carles, Llobet, Antoni

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Aggregation Patterns in Low- and High-Charge Anions Define Opposite Solubility Trends von Segado, Mireia, Nyman, May, Bo, Carles

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

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Mechanism of the photochemical process of singlet oxygen production by phenalenone von SEGADO, Mireia, REGUERO, Mar

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Intramolecular charge transfer in aminobenzonitriles and tetrafluoro counterparts: fluorescence explained by competition between low-lying excited states and radiationless deactiva... von Segado, Mireia, Gómez, Isabel, Reguero, Mar

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A “Twist” on the Interpretation of the Multifluorescence Patterns of DASPMI von Segado, Mireia, Benassi, Enrico, Barone, Vincenzo

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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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Presence of Two Emissive Minima in the Lowest Excited State of a Push–Pull Cationic Dye Unequivocally Proved by Femtosecond Up-Conversion Spectroscopy and Vibronic Quantum-Mechanic... von Benassi, Enrico, Carlotti, Benedetta, Segado, Mireia, Cesaretti, Alessio, Spalletti, Anna, Elisei, Fausto, Barone, Vincenzo

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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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Predicting solubility of ion pairs in aqueous inorganic chemistry von Rahman, Tasnim, Petrus, Enric, Segado, Mireia, Martin, Nicolas, Palys, Lauren, Rambaran, Mark, Ohlin, C. André, Bo, Carles, Nyman, May

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Computational Prediction of Speciation Diagrams and Nucleation Mechanisms: Molecular Vanadium, Niobium, and Tantalum Oxide Nanoclusters in Solution von Petrus, Enric, Segado-Centellas, Mireia, Bo, Carles

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Unveiling a Photoinduced Hydrogen Evolution Reaction Mechanism via the Concerted Formation of Uranyl Peroxide von Petrus, Enric, Segado, Mireia, Bandeira, Nuno A. G., Bo, Carles

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Intramolecular charge transfer in aminobenzonitriles and tetrafluoro counterparts: fluorescence explained by competition between low lying excited states and radiationless deactiva... von Segado, Mireia, Mercier, Yannick, Gómez, Isabel, Reguero, Mar

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Alkali-Driven Disassembly and Reassembly of Molecular Niobium Oxide in Water von Sures, Dylan, Segado, Mireia, Bo, Carles, Nyman, May

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