Chemistry
Listando 29 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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40
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7
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Article
Organocatalytic Trapping of Elusive Carbon Dioxide Based Heterocycles by a Kinetically Controlled Cascade Process
Qiao, Chang; Villar-Yanez, Alba; Sprachmann, Josefine; Limburg, Bart; Bo, Carles; Kleij, Arjan W.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
1433-7851 (2020)
DOI /
10.1002/anie.202007350
Green submitted
Mentions
27
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0
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2
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0
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Article
Tuning and mechanistic insights of metal chalcogenide molecular catalysts for the hydrogen-evolution reaction
McAllister, James; Bandeira, Nuno A. G.; McGlynn, Jessica C.; Ganin, Alexey Y.; Song, Yu-Fei; Bo, Carles; Miras, Haralampos N.
NATURE COMMUNICATIONS
(2019)
DOI /
10.1038/s41467-018-08208-4
Green published, Gold, Green accepted
Mentions
28
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0
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0
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0
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Article
Deciphering key intermediates in the transformation of carbon dioxide into heterocyclic products
Huang, Rui; Rintjema, Jeroen; Gonzalez-Fabra, Joan; Martin, Eddy; Escudero-Adan, Eduardo C.; Bo, Carles; Urakawa, Atsushi; Kleij, Arjan W.
NATURE CATALYSIS
2520-1158 (2019)
DOI /
10.1038/s41929-018-0189-z
Green accepted
Mentions
34
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0
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0
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0
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Article
Nucleation mechanisms and speciation of metal oxide clusters
Petrus, Enric; Segado, Mireia; Bo, Carles
CHEMICAL SCIENCE
2041-6520 (2020)
DOI /
10.1039/d0sc03530k
Gold DOAJ
Mentions
15
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0
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0
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0
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Article
Exploring the self-assembly of dumbbell-shaped polyoxometalate hybrids, from molecular building units to nanostructured soft materials
Segado Centellas, Mireia; Piot, Madeleine; Salles, Raphael; Proust, Anna; Tortech, Ludovic; Brouri, Dalil; Hupin, Sebastien; Abecassis, Benjamin; Landy, David; Bo, Carles; Izzet, Guillaume
CHEMICAL SCIENCE
2041-6520 (2020)
DOI /
10.1039/d0sc03243c
Gold DOAJ, Green published
Mentions
25
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0
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0
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0
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Editorial Material
The role of computational results databases in accelerating the discovery of catalysts
Bo, Carles; Maseras, Feliu; Lopez, Nuria
NATURE CATALYSIS
2520-1158 (2018)
DOI /
10.1038/s41929-018-0176-4
Green accepted
Mentions
27
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0
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0
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0
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Article
Unlocking Phase Diagrams for Molybdenum and Tungsten Nanoclusters and Prediction of their Formation Constants
Petrus, Enric; Bo, Carles
JOURNAL OF PHYSICAL CHEMISTRY A
1089-5639 (2021)
DOI /
10.1021/acs.jpca.1c03292
Mentions
20
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0
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0
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Article
Mechanistic Insights into the Carbon Dioxide/Cyclohexene Oxide Copolymerization Reaction: Is One Metal Center Enough?
Gonzalez-Fabra, Joan; Castro-Gomez, Fernando; Kleij, Arjan W.; Bo, Carles
CHEMSUSCHEM
1864-5631 (2017)
DOI /
10.1002/cssc.201601520
Green accepted
Mentions
16
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0
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0
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0
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Article
Unveiling a Photoinduced Hydrogen Evolution Reaction Mechanism via the Concerted Formation of Uranyl Peroxide
Petrus, Enric; Segado, Mireia; Bandeira, Nuno A. G.; Bo, Carles
INORGANIC CHEMISTRY
0020-1669 (2020)
DOI /
10.1021/acs.inorgchem.0c00757
Mentions
16
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0
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0
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0
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Article
Alkali-Driven Disassembly and Reassembly of Molecular Niobium Oxide in Water
Sures, Dylan; Segado, Mireia; Bo, Carles; Nyman, May
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
0002-7863 (2018)
DOI /
10.1021/jacs.8b05015
Mentions
11
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0
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0
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Article
Entropic corrections for the evaluation of the catalytic activity in the Al(iii) catalysed formation of cyclic carbonates from CO2 and epoxides A data set of input files and computational results is available in the ioChem-BD repository and can be accessed
Gonzalez-Fabra, Joan; Castro-Gomez, Fernando; Sameera, W. M. C.; Nyman, Gunnar; Kleij, Arjan W.; Bo, Cartes
CATALYSIS SCIENCE & TECHNOLOGY
2044-4753 (2019)
DOI /
10.1039/c9cy01285k
Mentions
21
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0
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0
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0
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Article
Rationalizing the Mechanism of Peroxyformate Decomposition: Computational Insights To Understand Solvent Influence
Garay-Ruiz, Diego; Bo, Carles
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2021)
DOI /
10.1002/chem.202100755
Hybrid
Mentions
14
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0
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0
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Article
Revisiting Catalytic Cycles: A Broader View through the Energy Span Model
Garay-Ruiz, Diego; Bo, Carles
ACS CATALYSIS
2155-5435 (2020)
DOI /
10.1021/acscatal.0c02332
Mentions
21
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0
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0
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Article
Electronic and relativistic contributions to ion-pairing in polyoxometalate model systems
Sures, Dylan J.; Serapian, Stefano A.; Kozma, Karoly; Molina, Pedro I.; Bo, Carles; Nyman, May
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2017)
DOI /
10.1039/c6cp08454k
Mentions
12
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0
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0
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Article
Dimension-Controlled Dewetting in Hydrophobic Porous Nanocapsules
Melgar, Dolores; Zhou, Qianjie; Chakraborty, Sourav; Porcar, Lionel; Weinstock, Ira A.; Avalos, Josep Bonet; Wu, Bin; Bo, Carles; Yin, Panchao
JOURNAL OF PHYSICAL CHEMISTRY C
1932-7447 (2020)
DOI /
10.1021/acs.jpcc.0c01019
Mentions
16
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0
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0
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Article
Effect of an Al(III) Complex on the Regio- and Stereoisomeric Formation of Bicyclic Organic Carbonates
Maquilon, Cristina; Limburg, Bart; Laserna, Victor; Garay-Ruiz, Diego; Gonzalez-Fabra, Joan; Bo, Caries; Belmonte, Marta Martinez; Escudero-Adan, Eduardo C.; Kleij, Arjan W.
ORGANOMETALLICS
0276-7333 (2020)
DOI /
10.1021/acs.organomet.9b00773
Mentions
10
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0
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0
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0
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Article
Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates
Bandeira, Nuno A. G.; Sadeghi, Omid; Woods, Toby J.; Zhang, Yuan-Zhu; Schnack, Juergen; Dunbar, Kim; Nyman, May; Bo, Caries
JOURNAL OF PHYSICAL CHEMISTRY A
1089-5639 (2017)
DOI /
10.1021/acs.jpca.6b10763
Green accepted
Mentions
6
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0
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0
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0
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Article
Aggregation Patterns in Low- and High-Charge Anions Define Opposite Solubility Trends
Segado, Mireia; Nyman, May; Bo, Carles
JOURNAL OF PHYSICAL CHEMISTRY B
1520-6106 (2019)
DOI /
10.1021/acs.jpcb.9b08571
Mentions
7
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0
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0
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Article
Performance of group additivity methods for predicting the stability of uranyl complexes
Petrus, Enric; Bo, Carles
JOURNAL OF COMPUTATIONAL CHEMISTRY
0192-8651 (2020)
DOI /
10.1002/jcc.26157
Mentions
9
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0
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0
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Article
Anions coordinating anions: analysis of the interaction between anionic Keplerate nanocapsules and their anionic ligands
Melgar, Dolores; Bandeira, Nuno A. G.; Avalos, Josep Bonet; Bo, Carles
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2017)
DOI /
10.1039/c6cp08511c
Mentions
11
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0
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0
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Article
Electronic Structure Studies on the Whole Keplerate Family: Predicting New Members
Melgar, Dolores; Bandeira, Nuno A. G.; Bo, Carles
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2017)
DOI /
10.1002/chem.201605981
Green accepted
Mentions
19
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0
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0
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Article
Thermodynamic Stability of Heterodimetallic [LnLn] Complexes: Synthesis and DFT Studies
Gonzalez-Fabra, Joan; Bandeira, Nuno A. G.; Velasco, Veronica; Barrios, Leoni A.; Aguila, David; Teat, Simon J.; Roubeau, Olivier; Bo, Carles; Aromi, Guillem
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2017)
DOI /
10.1002/chem.201700095
Green submitted, Green accepted, Bronze
Mentions
9
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0
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0
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Article
Photochromism and Dual-Color Fluorescence in a Polyoxometalate-Benzospiropyran Molecular Switch
Parrot, Arnaud; Bernard, Aurelie; Jacquart, Aurelie; Serapian, Stefano Artin; Bo, Carles; Derat, Etienne; Oms, Olivier; Dolbecq, Anne; Proust, Anna; Metivier, Remi; Mialane, Pierre; Izzet, Guillaume
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
1433-7851 (2017)
DOI /
10.1002/anie.201701860
Green accepted, Green submitted
Mentions
1
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0
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0
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Article
Metal-Free Synthesis of N-Aryl Amides using Organocatalytic Ring-Opening Aminolysis of Lactones
Guo, Wusheng; Gomez, Jose Enrique; Martinez-Rodriguez, Luis; Bandeira, Nuno A. G.; Bo, Carles; Kleij, Arjan W.
CHEMSUSCHEM
1864-5631 (2017)
DOI /
10.1002/cssc.201700415
Green accepted
Mentions
4
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0
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0
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0
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Article
Efficient Vanadium-Catalyzed Aerobic C-C Bond Oxidative Cleavage of Vicinal Diols
Amadio, Emanuele; Gonzalez-Fabra, Joan; Carraro, Davide; Denis, William; Gjoka, Blerina; Zonta, Cristiano; Bartik, Kristin; Cavani, Fabrizio; Solmi, Stefania; Bo, Carles; Licini, Giulia
ADVANCED SYNTHESIS & CATALYSIS
1615-4150 (2018)
DOI /
10.1002/adsc.201800050
Green published
Mentions
7
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0
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0
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Article
Strategic Capture of the {Nb-7} Polyoxometalate
Martin, Nicolas P.; Petrus, Enric; Segado, Mireia; Arteaga, Ana; Zakharov, Lev N.; Bo, Caries; Nyman, May
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2019)
DOI /
10.1002/chem.201902770
Bronze
Mentions
4
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0
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0
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Article
Selective Lanthanide Distribution within a Comprehensive Series of Heterometallic [LnPr] Complexes
Aguila, David; Velasco, Veronica; Barrios, Leoni A.; Gonzalez-Fabra, Joan; Bo, Carles; Teat, Simon J.; Roubeau, Olivier; Aromi, Guillem
INORGANIC CHEMISTRY
0020-1669 (2018)
DOI /
10.1021/acs.inorgchem.8b01112
Green accepted
Mentions
2
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0
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0
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Article
Regioselective Catalysis by the {Mo-132} Nanocapsule: A Computational Inspection
Bandeira, Nuno A. G.; Bo, Carles
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
1434-1948 (2018)
DOI /
10.1002/ejic.201800155
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1
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Article
Hydrogen Generation via Activation of X-H Bonds in Ammonia and Water by an Mo-I Complex
Bandeira, Nuno A. G.; Veiros, Luis F.; Bo, Carles
CHEMISTRYSELECT
2365-6549 (2017)
DOI /
10.1002/slct.201701801
