Rosa María
Llusar Barelles
Publicaciones en las que colabora con Rosa María Llusar Barelles (8)
2024
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Spin-Crossing in the (Z)-Selective Alkyne Semihydrogenation Mechanism Catalyzed by Mo3S4 Clusters: A Density Functional Theory Exploration
Inorganic chemistry, Vol. 63, Núm. 2, pp. 1000-1009
2023
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Efficient (Z)-selective semihydrogenation of alkynes catalyzed by air-stable imidazolyl amino molybdenum cluster sulfides
Inorganic Chemistry Frontiers, Vol. 10, Núm. 6, pp. 1786-1794
2022
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Base-Free Catalytic Hydrogen Production from Formic Acid Mediated by a Cubane-Type Mo3S4Cluster Hydride
Inorganic Chemistry, Vol. 61, Núm. 42, pp. 16730-16739
2021
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Bifunctional W/NH Cuboidal Aminophosphino W3S4 Cluster Hydrides: The Puzzling Behaviour behind the Hydridic-Protonic Interplay
European Journal of Inorganic Chemistry, Vol. 2021, Núm. 42, pp. 4377-4382
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Catalytic Hydrogenation of Azobenzene in the Presence of a Cuboidal Mo3S4Cluster via an Uncommon Sulfur-Based H2Activation Mechanism
ACS Catalysis, Vol. 11, Núm. 2, pp. 608-614
2020
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Benchmarking of DFT methods using experimental free energies and volumes of activation for the cycloaddition of alkynes to cuboidal Mo3S4 clusters
International Journal of Quantum Chemistry, Vol. 120, Núm. 19
2018
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Cuboidal Mo3S4 Clusters as a Platform for Exploring Catalysis: A Three-Center Sulfur Mechanism for Alkyne Semihydrogenation
ACS Catalysis, Vol. 8, Núm. 8, pp. 7346-7350
2017
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Studies on the Reactivity of the [W3S4Br3(edpp)3]+ [edpp = (2-aminoethyl)diphenylphosphine] Cluster Cation towards Bases: The Active Role of the Amino Group
European Journal of Inorganic Chemistry, Vol. 2017, Núm. 43, pp. 5006-5014