FAC. QUÍMICA
Centre
Instituto Catalán de Investigación Química
Tarragona, EspañaPublicaciones en colaboración con investigadores/as de Instituto Catalán de Investigación Química (27)
2023
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A quantum spin liquid candidate isolated in a two-dimensional CoIIRhIII bimetallic oxalate network
Chemical Science, Vol. 14, Núm. 14, pp. 3899-3906
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Enantioselective Catalysis with Pyrrolidinyl Gold(I) Complexes: DFT and NEST Analysis of the Chiral Binding Pocket
JACS Au, Vol. 3, Núm. 6, pp. 1742-1754
2017
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Interfacial acidity in ligand-modified ruthenium nanoparticles boosts the hydrogenation of levulinic acid to gamma-valerolactone
Green Chemistry, Vol. 19, Núm. 10, pp. 2361-2370
2015
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Functionalization of CnH2n+2 Alkanes: Supercritical Carbon Dioxide Enhances the Reactivity towards Primary Carbon-Hydrogen Bonds
ChemCatChem, Vol. 7, Núm. 20, pp. 3254-3260
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Intramolecular Proton Transfer Boosts Water Oxidation Catalyzed by a Ru Complex
Journal of the American Chemical Society, Vol. 137, Núm. 33, pp. 10786-10795
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Quantification of CH-π interactions using Calix[4]pyrrole receptors as model systems
Molecules, Vol. 20, Núm. 9, pp. 16672-16686
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Structure and reactivity of supported hybrid platinum nanoparticles for the flow hydrogenation of functionalized nitroaromatics
ACS Catalysis, Vol. 5, Núm. 6, pp. 3767-3778
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Structure, activity, and deactivation mechanisms in double metal cyanide catalysts for the production of polyols
ChemCatChem, Vol. 7, Núm. 6, pp. 928-935
2014
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Costless derivation of dispersion coefficients for metal surfaces
Journal of Chemical Theory and Computation, Vol. 10, Núm. 11, pp. 5002-5009
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From the lindlar catalyst to supported ligand-modified palladium nanoparticles: Selectivity patterns and accessibility constraints in the continuous-flow three-phase hydrogenation of acetylenic compounds
Chemistry - A European Journal, Vol. 20, Núm. 20, pp. 5926-5937
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Theoretical description of the role of halides, silver, and surfactants on the structure of gold nanorods
Nano Letters, Vol. 14, Núm. 2, pp. 871-875
2013
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A computational study of magnesium incorporation in the bulk and surfaces of hydroxyapatite
Langmuir, Vol. 29, Núm. 19, pp. 5851-5856
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Au@Ag nanoparticles: Halides stabilize {100} facets
Journal of Physical Chemistry Letters, Vol. 4, Núm. 13, pp. 2209-2216
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How theoretical simulations can address the structure and activity of nanoparticles
Topics in Catalysis, Vol. 56, Núm. 13-14, pp. 1262-1272
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Scanning tunneling microscopy and molecular dynamics study of the Li 2TiO3(001) surface
Journal of Physical Chemistry C, Vol. 117, Núm. 10, pp. 5126-5131
2012
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Molecular dynamics simulation of the early stages of nucleation of hydroxyapatite at a collagen template
Crystal Growth and Design, Vol. 12, Núm. 2, pp. 756-763
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State-of-the-art and challenges in theoretical simulations of heterogeneous catalysis at the microscopic level
Catalysis Science and Technology, Vol. 2, Núm. 12, pp. 2405-2417
2011
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Sodium and pH responsive hydrogel formation by the supramolecular system calix[4]pyrrole derivative/tetramethylammonium cation
Chemical Communications, Vol. 47, Núm. 7, pp. 2017-2019
2010
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A chiral ferromagnetic molecular metal
Journal of the American Chemical Society, Vol. 132, Núm. 27, pp. 9271-9273
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Intercalation of two-dimensional oxalate-bridged molecule-based magnets into layered double hydroxide hosts
Journal of Materials Chemistry, Vol. 20, Núm. 42, pp. 9476-9483