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Institute of Chemical Research of Catalonia
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López Research Group
3D_Sn-based_perovskite_compounds
AB_NiCoP
Acetol to pyruvaldehyde on Ag, AgOx Ag, and Ag2O
Activity differences of rutile and anatase TiO2 polymorphs in catalytic HBr oxidation for bromine-mediated upgrading of natural gas
Additional_reactions
Ammonia_Borane_Cu_Co_OH2
Atomic-scale engineering of indium oxide promotion by palladium for methanol production via CO2 hydrogenation
Au_clusters
Au-CO3
Au-NC
Au_NC_hydrochlorination
Au_NC_hydrogenation
AuNP-SPO
Automation_Transfer
Benchmark-cation-effect-CO2-reduction
Bi-UiO-66-CN Promotes eCO2RR
BiVO4_vacancies_selectivity
Candidate-materials-COR
Cation-effect-CO2-reduction
Cation-effect-HCOOH
CeO2(100)
ceria_coupling
ceria_plasma
ceria_sac
CH2Br2_Hydrodebromination
CH2Br2_Hydrodebromination_Additional
Chirality_transfer_in_gold_nanoparticles_by_L-cysteine
Chiral Seeded Growth of Gold Nanorods Into Fourfold Twisted Nanoparticles with Plasmonic Optical Activity
CO2_to_Methanol_on_In2O3
CO-coverage
Co-del_OER
Co_eCO2R
COF-bpy-Mn_for_eCO2RR
CoFe-PBA-clusters_for_OER
CoHAP_simulations
Collection of: A coupled Density Functional Theory-Microkinetic modeling for the hydrodeoxygenation of glycerol to propylene on MoO3
Collection of: Mechanistic Insights into the Ceria-catalyzed Synthesis of Carbamates as Polyurethane Precursors
Collection of: One Oxygen Vacancy, Two Charge States: Characterization of Reduced α-MoO3(010) through Theoretical Methods
Collective Descriptors for the Adsorption of Sugar Alcohols on Pt and Pd(111)
Computational Dataset for "Evidence of radical chemistry in catalytic methane oxybromination"
CoNi-alloy
CO_on_ceria(100)
Covestro
Cr-SAC-N2O
Cu_acetylene_hydrochlorination
Cu-CO3
Cu-dissolution
Cu_NPs-CORR
CuOCl
Cu_OH_CO
Cu-reconstruction
Cu_SM
Cu-ZrTpmC_NO_disprop
CWO
Database_Prussian_blue_derivatives
data_perovskite
Data Set for: Decarbonylation
Data Set for: Prevalence of trans-Alkenes in Hydrogenation Processes on Metal Surfaces: A Density Functional Theory Study
Defects as catalytic sites for the oxygen evolution reaction in Earth-abundant MOF-74 revealed by DFT
descriptor_acetylene_hydrochlorination
Descriptor_acetylene_hydrochlorination
descriptors-IL
Design of Flame-Made ZnZrOx Catalysts for Sustainable Methanol Synthesis from CO₂
Developments in the atomistic modelling of catalytic processes for the production of platform chemicals from biomass
Diversity at the Water-Metal Interface: Metal, Water Thickness, and Confinement Effects.
doped hematite
eCO2rr-CoTPP-MWCNT
eFTS-nickel
Electrochemical_of_PNP-HHDMA
Electrochemical Reduction of Carbon Dioxide to 1‐Butanol on Oxide‐Derived Copper
Electronic_ensemble_microkinetics_for_single-atom_catalysts
Enhanced Performance of Zirconium‐Doped Ceria Catalysts for the Methoxycarbonylation of Anilines
Ensemble Design in Nickel Phosphide Catalysts for Alkyne Semi-Hydrogenation
Epimerization_of_glucose_mannose_pair_on_Mo-based_compounds
Fe_CO_nuclearity
Flame Spray Pyrolysis as a Synthesis Platform to Assess Metal Promotion in In₂O₃-Catalyzed CO₂ Hydrogenation
Glucose_and_Mannose hydrogenation to sorbitol and mannitol
GNN
graphene
Hydrodehalogenation
Hydrogenation of nitroaromatics to aniline on Pt(111), Pt3Pb(111), and Pt(111)-HHDMA
In2O3-SEC
Ir_Pt_Ru_Ni_nuclearity_hydrodehalogenation
ITN_workshop
Laser-induced nitrogen fixation
Levulinic Acid hydrogenation to Gamma-Valerolatone
Li-Catalyzed_Hydrosilylation
lignin_depolymerization
Li_Lactide_Polymer
m_bulk_sp
m_gas_sp
Microkinetics of alcohol reforming for H2 production from a FAIR density functional theory database
M-N4-C_systems_
m_n_dc_graph
Mn_SAC_N2O
m_p_dc_graph
M_porphines
m_s_dc_graph
Multiatomic_Pd_catalysts
multiscale_electrolyte
Multivalent-cation-effect-CO2-H2O-reduction
M-ZnZrOx
Nanostructure of nickel-promoted indium oxide catalysts drives selectivity in CO2 hydrogenation
N-arylation_Fe_Cu-GCN
NC
NC
NC_proximity_effects_TEM
N_dc_graph
Ni100
NiNx-NiCx-Ni_nanoparticle-CO2r
NiO
NNP-Cu-O
NO single-site disproportionation on Fe-MOF-5
On the role of Fe species in NiOOH for oxygen evolution reaction
Oxazolidinone_oxidation_DFT
Oxygen-vacancies_BiVO4
palladium_sulfide_nanoparticles_for_alkyne_semi-hydrogenation
PBA_alkali_metal_encapsulation
PbAu
Pd_BN_selective_semihydrogenation
Pd_BN_selective_semihydrogenation
Pd_carbon_nitride_Buchwald_Hartwig
P_dc_graph
Pd_cross_coupling_droplet_XAS
Pd-GCN
Pd_hydrodebromination
Pd-P
Pd SAHCs on ECN for Suzuki cross-coupling
PECH_based_LC_polymer
perovskite_database
Photoanodes_BiVO4_CoFe-PB
Photoanodes_Fe2O3_CoFe-PB
porphines
Propylene
Pt_acetylene_hydrochlorination
Pt@graphene(F, OH, H, CN)
Pt_hydrodebromination
Pt_location_on_PTI
Pt/MnO Interface Induced Defects for High Reverse Water Gas Shift Activity
Pt_vs_Au_single_atoms_@N_doped_graphite
Pure_metals
Raman-C2
Reaction-Induced Metal-Metal Oxide Interactions in Pd In₂O₃/ZrO₂ Catalysts Drive Selective and Stable CO₂ Hydrogenation to Methanol
redCO2
redCO2_Cu-Sn
redCO2_OD-Cu
redCO2_Pd-In
RF_COOH
RuO2_C2H4_Oxychlorination
sac_ml
SA_Pt/CeO2
S_dc_graph
Seawater_Electrolysis_with_Cobalt_Hexacyanoferrate
Seawater_Electrolysis_with_Cobalt_Hexacyanoferrate
Selective_Ethylene_Dimerization_via_Defective_Ru-MOF_nodes
Selective hydrogenolysis of 5-hydroxymethylfurfural to 5 methylfurfural over Au/TiO₂
Shape_control_in_gold_nanoparticles_by_N-containing_ligands
Single-atom heterogeneous catalysts based on distinct carbon nitride scaffolds
Solar2Chem_photoelectrodes
Solvation Effects on Methanol Decomposition on Pd(111), Pt(111) and Ru(0001)
Spin_crossover_assisted_water_oxidation_with_CoFe-PB
spinel
Statistical learning goes beyond the d-band model providing the thermochemistry of adsorbates on transition metals
STM_Au_CoO
STM_Au_CoO
Synergistic_bimetallic_Pt-Ru_NC
TAMOF_epoxide_ring_opening
TAMOF_epoxide_ring_opening
test
The interplay between homogeneous and heterogeneous phases of PdAu catalysts for the oxidation of alcohols
Truxene-FPy
VO2-R
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