- Highly selective encapsulation and purification of U-based C-78-EMFs within a supramolecular nanocapsule
- Fuertes-Espinosa, Carles; Murillo, Jesse; Soto, Marco E.; Ceron, Maira R.; Morales-Martinez, Roser; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Ribas, Xavi
- NANOSCALE, 2019, 23035-23041
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- The diverse mechanisms for the oxidative addition of C-Br bonds to Pd(PR3) and Pd(PR3)(2) complexes
- Besora, Maria; Maseras, Feliu
- DALTON TRANSACTIONS, 2019, 16242-16248
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- Polyoxometalates as alternative Mo precursors for methane dehydroaromatization on Mo/ZSM-5 and Mo/MCM-22 catalysts
- Julian, Ignacio; Hueso, Jose L.; Lara, Nidya; Sole-Daura, Albert; Poblet, Josep M.; Mitchell, Scott G.; Mallada, Reyes; Santamaria, Jesus
- CATALYSIS SCIENCE & TECHNOLOGY, 2019, 5927-5942
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- Theoretical studies on the energy structures and optical properties of copper cysteamine - a novel sensitizer
- Alias, Marc; Alkhaldi, Noura D.; Reguero, Mar; Ma, Lun; Zhang, Junying; de Graaf, Coen; Huda, Muhammad N.; Chen, Wei
- PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 21084-21093
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- Novel Chiral PNNP Ligands with a Pyrrolidine Backbone - Application in the Fe-Catalyzed Asymmetric Transfer Hydrogenation of Ketones
- Mercade, Elisabet; Zangrando, Ennio; Clotet, Anna; Claver, Carmen; Godard, Cyril
- EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2019, 4211-4220
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- Peroxo-Cerium(IV)-Containing Polyoxometalates: [Ce-6(IV)(O-2)(9)(GeW10O37)(3)](24-), a Recyclable Homogeneous Oxidation Catalyst
- Qasim, Hafiz M.; Ayass, Wassim W.; Donfack, Patrice; Mougharbel, Ali S.; Bhattacharya, Saurav; Nisar, Talha; Balster, Torsten; Sole-Daura, Albert; Roemer, Isabella; Goura, Joydeb; Materny, Arnulf; Wagner, Veit; Poblet, Josep M.; Bassil, Bassem S.; Kortz, Ulrich
- INORGANIC CHEMISTRY, 2019, 11300-11307
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- Tetravalent Metal Ion Guests in Polyoxopalladate Chemistry: Synthesis and Anticancer Activity of [MO8Pd12(PO4)(8)](12-) (M = Sn-IV, Pb-IV)
- Yang, Peng; Ma, Tian; Lang, Zhonglin; Misirlic-Dencic, Sonja; Isakovic, Andjelka M.; Benyei, Attila; Colovic, Mirjana B.; Markovic, Ivanka; Krstic, Danijela Z.; Poblet, Josep M.; Lin, Zhengguo; Kortz, Ulrich
- INORGANIC CHEMISTRY, 2019, 11294-11299
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- 9-Cobalt(II)-Containing 27-Tungsto-3-germanate(IV): Synthesis, Structure, Computational Modeling, and Heterogeneous Water Oxidation Catalysis
- Haider, Ali; Bassil, Bassem S.; Soriano-Lopez, Joaquin; Qasim, Hafiz M.; Saenz de Pipaon, Cristina; Ibrahim, Masooma; Dutta, Daipayan; Koo, Yong-Sun; Carbo, Jorge J.; Poblet, Josep M.; Ramon Galan-Mascaros, Jose; Kortz, Ulrich
- INORGANIC CHEMISTRY, 2019, 11308-11316
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- The Role of Vibrational Anharmonicity in the Computational Study of Thermal Spin Crossover
- Wu, Jianfang; Sousa, Carmen; de Graaf, Coen
- MAGNETOCHEMISTRY, 2019, -
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- Modeling the reactivity of alkanes toward organometallic electrophiles
- Perez, Pedro; Caballero, Ana; Asensio, Gregorio; Etienne, Michel; Maseras, Feliu; Olmos, Andrea; Gava, Riccardo; Besora, Maria; Jacobs, Kane
- ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, -
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- Th@C-1(11)-C-86: an actinide encapsulated in an unexpected C-86 fullerene cage
- Wang, Yaofeng; Morales-Martinez, Roser; Cai, Wenting; Zhuang, Jiaxin; Yang, Wei; Echegoyen, Luis; Poblet, Josep M.; Rodriguez-Fortea, Antonio; Chen, Ning
- CHEMICAL COMMUNICATIONS, 2019, 9271-9274
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- Why Does Nb(V) Show Higher Heterolytic Pathway Selectivity Than Ti(IV) in Epoxidation with H2O2? Answers from Model Studies on Nb- and Ti-Substituted Lindqvist Tungstates
- Maksimchuk, Nataliya V.; Ivanchikova, Irina D.; Maksimov, Gennadii M.; Eltsov, Ilia V.; Eytushok, Vasilii Yu.; Kholdeeva, Oxana A.; Lebbie, Daniel; Errington, R. John; Sole-Daura, Albert; Poblet, Josep M.; Carbo, Jorge J.
- ACS CATALYSIS, 2019, 6262-6275
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- Small Cage Uranofullerenes: 27 Years after Their First Observation
- Gomez-Torres, Alejandra; Esper, Ronda; Dunk, Paul W.; Morales-Martinez, Roser; Rodriguez-Fortea, Antonio; Echegoyen, Luis; Poblet, Josep M.
- HELVETICA CHIMICA ACTA, 2019, -
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- Transition-Metal-Free Allylic Borylation of 1,3-Dienes
- Maza, Ricardo J.; Davenport, Elliot; Miralles, Nuria; Carbo, Jorge J.; Fernandez, Elena
- ORGANIC LETTERS, 2019, 2251-2255
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- Computer-aided design of short-lived phosphorescent Ru(II) polarity probes
- Ielasi, Guido; Alcover, Gerard; Casellas, Josep; de Graaf, Coen; Orellana, Guillermo; Reguero, Mar
- DYES AND PIGMENTS, 2019, 168-176
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- Trends in the Bond Multiplicity of Cr-2, Cr-3, and Cr2M (M = Zn, Ni, Fe, Mn) Complexes Extracted from Multiconfigurational Wave Functions
- Spivak, Mariano; Lopez, Xavier; de Graaf, Coen
- JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 1538-1547
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- Deactivation of Excited States in Transition-Metal Complexes: Insight from Computational Chemistry
- Sousa, Carmen; Alias, Marc; Domingo, Alex; de Graaf, Coen
- CHEMISTRY-A EUROPEAN JOURNAL, 2019, 1152-1164
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- Controlling the Activity and Stability of Electrochemical Interfaces Using Atom-by-Atom Metal Substitution of Redox Species
- Prabhakaran, Venkateshkumar; Lang, Zhongling; Clotet, Anna; Poblet, Josep M.; Johnson, Grant E.; Laskin, Julia
- ACS NANO, 2019, 458-466
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