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Publications
Datasets
2024
2023
2022
2021
2020
Zenodo (241)
Github (24)
Iochem-bd (24)
Materials Cloud (14)
Other
2025
Assessing decarbonization strategies and industrial symbiosis in the chemical and waste-to-energy sector
Hellweg. Associated publication:
10.1111/jiec.13616
.
Dataset
Controlling selectivity in the chemical looping oxidative dehydrogenation of propane through interface engineering
Müller. Associated publication:
10.1038/s41467-025-60428-7
.
Dataset
Low temperature thermal RAFT depolymerization: the effect of Z-group substituents on molecular weight control and yield
Anastasaki.
Dataset
compound characterization
REX3 data including LULUCF emissions and code for the study "Rising GHGs embodied in the global bioeconomy supply chain"
Hellweg. Associated publication:
10.1038/s43247-025-02144-0
.
Dataset
Source data to create the figures of the study "Rising greenhouse gas emissions embodied in the global bioeconomy supply chain" using REX3 with new GHG extension including LULUCF
Hellweg.
Dataset
2024
"Perovskite Quantum Dots for Super-Resolution Optical Microscopy: Where Strong Photoluminescence Blinking Matters" - Article, SI and Dataset
Kovalenko.
Dataset
AdsMT: Multi-modal Transformer for Predicting Global Minimum Adsorption Energy
Schwaller.
Dataset
Augmented Memory: Sample-Efficient Generative Molecular Design with Reinforcement Learning
Schwaller. Associated publications:
10.48550/arxiv.2309.13957
,
10.1021/jacsau.4c00066
.
Software
Bayesian optimisation for additive screening and yield improvements – beyond one-hot encoding
Schwaller.
Software
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
Laino. Associated publication:
10.1039/d3sc05607d
.
Dataset
Data Set for the Journal Article "SCINE - Software for Chemical Interaction Networks"
Reiher. Associated publication:
10.1063/5.0206974
.
Dataset
Data Set for the Journal Article 'Navigating chemical reaction space with a steering wheel'
Reiher. Associated publication:
10.1038/s41467-024-47997-9
.
Dataset
Data set for publication: Enhancing C
≥2
product selectivity in electrochemical CO
2
reduction by controlling the microstructure of gas diffusion electrodes
Battaglia. Associated publication:
10.1039/d3ey00140g
.
Dataset
Data set for the journal article ''Nanoscale chemical reaction exploration with a quantum magnifying glass''
Reiher. Associated publication:
10.1038/s41467-024-49594-2
.
Dataset
Dataset for publication 'Operando Observation of (Bi)carbonate Precipitation during Electrochemical CO2 Reduction in Strongly Acidic Electrolytes '
Battaglia. Associated publication:
10.1021/acscatal.4c01884
.
Dataset
Dataset used in "Enhanced Sequence-Activity Mapping and Evolution of Artificial Metalloenzymes by Active Learning"
Krause, Ward. Associated publication:
10.1021/acscentsci.4c00258
.
Software
Dataset: Active learning streamlines development of high performance catalysts for higher alcohol synthesis
Pérez-Ramírez. Associated publication:
10.1038/s41467-024-50215-1
.
Dataset
Defective Zirconia Promotes Monometallic Iron Catalysts for Higher Alcohol Synthesis
Pérez-Ramírez. Associated publication:
10.1016/j.checat.2024.101010
.
Dataset
Effective engineering of a ketoreductase for the biocatalytic synthesis of an ipatasertib precursor
Buller. Associated publication:
10.1038/s42004-024-01130-5
.
Software
Enhanced Sequence-Activity Mapping and Evolution of Artificial Metalloenzymes by Active Learning
Krause, Ward.
Dataset
Enhanced Sequence-Activity Mapping and Evolution of Artificial Metalloenzymes by Active Learning
Krause, Ward. Associated publication:
10.1021/acscentsci.4c00258
.
Dataset
Global site-specific health impacts of fossil energy, steel mills, oil refineries and cement plants
Hellweg. Associated publication:
10.1038/s41598-023-38075-z
.
Dataset
Low-nuclearity CuZn ensembles on ZnZrOx catalyze methanol synthesis from CO2
Jeschke, Pérez-Ramírez. Associated publication:
10.1038/s41467-024-47447-6
.
Dataset
MHNN: Molecular Hypergraph Neural Networks
Schwaller. Associated publication:
10.1063/5.0193557
.
Software
Magnetic resonance velocimetry of particle hydrodynamics in a three-dimensional draft tube spout-fluid bed
Müller. Associated publication:
10.1016/j.cej.2024.149678
.
Dataset
Mixed-metal Ionothermal Synthesis of Metallophthalocyanine Covalent Organic Frameworks for CO2 Capture and Conversion
Coskun. Associated publication:
10.1002/anie.202309775
.
Dataset
Of Glasses and Crystals: Mitigating the Deactivation of CaO-Based CO2 Sorbents through Calcium Aluminosilicates
Müller. Associated publication:
10.1021/jacsau.3c00475
.
Dataset
Performance polyamides built on a sustainable carbohydrate core
Marti, Luterbacher. Associated publication:
10.1038/s41893-024-01298-7
.
Dataset
Probing Surface Transformations of Lanthanum Nickelate Electrocatalysts during Oxygen Evolution Reaction
Müller. Associated publication:
10.1021/jacs.4c00863
.
Dataset
Reaction-Induced Metal-Metal Oxide Interactions in Pd In2O3/ZrO2 Catalysts Drive Selective and Stable CO2 Hydrogenation to Methanol
Pérez-Ramírez. Associated publication:
10.1002/anie.202306563
.
Dataset
Reactivity Switch of Platinum with Gallium: From Reverse Water Gas Shift to Methanol Synthesis
Copéret. Associated publication:
10.1021/jacs.4c01144
.
Dataset
Structure and Role of a Ga-Promoter in Ni-Based Catalysts for the Selective Hydrogenation of CO2 to Methanol
Müller. Associated publication:
10.1021/jacsau.3c00677
.
Dataset
The Impact of Oxygen Surface Coverage and Carbidic Carbon on the Activity and Selectivity of Two-Dimensional Molybdenum Carbide (2D-Mo2C) in Fischer–Tropsch Synthesis
Müller. Associated publication:
10.1021/acscatal.3c03956
.
Dataset
The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required for activity
Milton.
Dataset
The role of chemical and solvent-based recycling within a sustainable circular economy for plastics
Hellweg. Associated publication:
10.1016/j.scitotenv.2023.167586
.
Software
Tracking Coordination Environment and Reaction Intermediates in Homogeneous and Heterogeneous Epoxidation Catalysts via Ti L
2,3
-Edge Near-Edge X-ray Absorption Fine Structures
Copéret. Associated publication:
10.1021/jacs.3c12831
.
Dataset
philpreikschas/operando-ir: v0.1.1
Pérez-Ramírez. Associated publication:
10.1038/s41467-024-47447-6
.
Dataset
Raw Supplementary information for the article "Benzylic C(sp3)-H Azidation: Copper vs Iron Catalysis"
Waser. Associated publication:
10.1002/hlca.202400004
.
Dataset
The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required for activity
Milton. Associated publication:
10.1021/jacsau.3c00567
.
Dataset
GAUCHE: A Library for Gaussian Processes in Chemistry
Schwaller. Associated publication:
10.48550/arxiv.2212.04450
.
Software
An artificial nickel chlorinase based on the biotin–streptavidin technology
Ward. Associated publication:
10.1039/d3cc05847f
.
Dataset
Artificial Metalloenzyme Catalyzed Enantioselective Carboamination of Alkenes
Ward. Associated publication:
10.1002/cctc.202400365
.
Dataset
Clipboard-to-SMILES-Converter
Laino, Schwaller. Associated publication:
10.1002/ail2.91
.
Software
Data and code for "3DReact: Geometric Deep Learning for Chemical Reactions"
Krause, Corminboeuf. Associated publication:
10.1021/acs.jcim.4c00104
.
Dataset
Dataset supporting "Overcoming the Pitfalls of Computing Reaction Selectivity from Ensembles of Transition States"
Corminboeuf. Associated publication:
10.1021/acs.jpclett.4c01657
.
Dataset
Dataset supporting Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions
Corminboeuf. Associated publication:
10.1021/acscatal.4c01175
.
Dataset
Dataset: Embracing Data Science in Catalysis Research
Pérez-Ramírez. Associated publication:
10.1038/s41929-024-01150-3
.
Dataset
Dataset: CO Cofeeding Affects Product Distribution in CH
3
Cl Coupling over ZSM-5 Zeolite: Pressure Twists the Plot
Bodi, Pérez-Ramírez. Associated publication:
10.1002/ange.202401060
.
Dataset
FG-dataset
Associated publication:
10.1038/s43588-023-00437-y
.
Dataset
HSQC0
Luterbacher. Associated publication:
10.1002/ange.202404442
.
Software
Is lithium from geothermal brines the sustainable solution for Li-ion batteries?
Hellweg. Associated publication:
10.1016/j.rser.2024.114456
.
Dataset
ODEFormer: Symbolic Regression of Dynamical Systems with Transformers
Schwaller. Associated publication:
10.48550/arxiv.2310.05573
.
Software
amuse
Associated publication:
10.1039/d3dd00163f
.
Software
https://github.com/rxn4chemistry/rxn4chemistry
Laino. Associated publication:
10.1038/s41524-024-01290-x
.
Software
operando-ir
Pérez-Ramírez. Associated publication:
10.1038/s41467-024-47447-6
.
Software
Absolute Sustainability Assessment of Flue Gas Valorization to Ammonia and Synthetic Natural Gas
Guillén-Gosálbez.
Dataset
An Artificial [Fe4S4]-Containing Metalloenzyme for the Reduction of CO2 to Hydrocarbons
Ward. Associated publication:
10.1021/jacs.3c03546
.
Dataset
Artificial Metalloenzyme-Catalyzed Enantioselective Amidation via Nitrene Insertion in Unactivated C(sp3)–H Bonds
Ward. Associated publication:
10.1021/jacs.3c03969
.
Dataset
Artificial Metalloenzymes with Two Catalytic Cofactors for Tandem Abiotic Transformations
Hu. Associated publication:
10.1002/anie.202422783
.
Dataset
Biodiversity impacts of recent land-use change driven by increases in agri-food imports
Hellweg. Associated publication:
10.1038/s41893-024-01433-4
.
Dataset
ChemCrow: Augmenting large-language models with chemistry tools
Schwaller. Associated publication:
10.1038/s42256-024-00832-8
.
Dataset
Copper-Phosphonate Lamella Intermediates Control the Shape of Colloidal Copper Nanocrystals
Buonsanti. Associated publication:
10.1021/jacs.2c03489
.
Dataset
Dataset: Nitrogen fixation and hydrogen evolution by sterically encumbered Mo-nitrogenase
Milton. Associated publication:
10.1021/jacsau.3c00165
.
Dataset
Design of technical ZnO/ZrO2 catalysts for CO2 hydrogenation to green methanol
Jeschke, Pérez-Ramírez.
Dataset
Droplet-based Microfluidics Reveals Insights into Cross-Coupling Mechanisms over Single-Atom Heterogeneous Catalysts
deMello, Pérez-Ramírez. Associated publication:
10.1002/anie.202401056
.
Dataset
Environmental footprint of Internet consumption
Guillén-Gosálbez. Associated publication:
10.1038/s41467-024-47621-w
.
Dataset
Hybrid Oxide Coatings Generates Stable Cu Catalysts for CO2 Electroreduction
Buonsanti. Associated publication:
10.1038/s41563-024-01819-x
.
Dataset
Integrated Conversion of Lignocellulosic Biomass to Bio-Based Amphiphiles using a Functionalization-Defunctionalization Approach
Luterbacher. Associated publication:
10.1002/anie.202312823
.
Dataset
LitChemPlast database
Wang, Hellweg. Associated publication:
10.1021/acs.estlett.4c00355
.
Dataset
Mapping Catalyst–Solvent Interplay in Competing Carboamination/Cyclopropanation Reactions
Corminboeuf, Cramer. Associated publication:
10.1002/chem.202200399
.
Dataset
Methoxycyclization of 1,5-Enynes by Coinage Metal Catalysts: Is Gold Always Superior?
Corminboeuf. Associated publication:
10.1002/hlca.202100134
.
Dataset
Net-zero transition of the global chemical industry with CO2-feedstock by 2050: feasible yet challenging
Guillén-Gosálbez, Hellweg. Associated publication:
10.1039/D2GC03047K
.
Dataset
OpenNMT-py
Laino. Associated publication:
10.26434/chemrxiv.13273310.v1
.
Software
OpenNMT-py
Laino. Associated publication:
10.1038/s42256-021-00319-w
.
Software
Operando Laser Scattering: Probing the Evolution of Local pH Changes on Complex Electrode Architectures
Broekmann. Associated publication:
10.1149/1945-7111/ac1212
.
Dataset
Porous polyisothiocyanurates for selective palladium recovery and heterogeneous catalysis
Copéret, Nachtegaal, Coskun. Associated publication:
10.1016/j.chempr.2022.05.009
.
Dataset
Raw data for the article "Enamine Synthesis via Regiocontrolled 6-endo-dig and 5-exo-dig Tethered Carboamination of Propargylic Alcohols"
Waser. Associated publication:
10.1002/anie.202411383
.
Dataset
compound characterization
Raw data for the article "Organic Dye Photocatalyzed Synthesis of Functionalized Lactones and Lactams via a Cyclization-Alkynylation Cascade"
Waser.
Dataset
Region-specific sourcing of lignocellulose residues as renewable feedstocks for a net-zero chemical industry
Guillén-Gosálbez, Wang, Hellweg. Associated publication:
10.1021/acs.est.4c03005
.
Dataset
Resolved Exiobase version 3 (REX3)
Hellweg. Associated publication:
10.1038/s41893-024-01433-4
.
Model
The effect of two ecological factors upon the inversion frequencies in D. melanogaster cage population.
Copéret, Müller. Associated publication:
10.1002/adfm.202302916
.
Dataset
Theory-guided development of homogeneous catalysts for the reduction of CO2 to formate, formaldehyde, and methanol derivatives
Corminboeuf. Associated publication:
10.1039/D2SC06793E
.
Dataset
ZnO-Promoted Inverse ZrO2–Cu Catalysts for CO2-Based Methanol Synthesis under Mild Conditions
Pérez-Ramírez. Associated publication:
10.1021/acssuschemeng.1c04751
.
Dataset
biomass_sourcing
Guillén-Gosálbez, Wang, Hellweg. Associated publication:
10.1021/acs.est.4c03005
.
Model
lcmd-epfl/volcanic: Locked release for Zenodo.
Corminboeuf. Associated publication:
10.1038/s41596-022-00726-2
.
Dataset
raw data for the article "Photocatalyzed Azidofunctionalization of Alkenes via Radical-Polar Crossover"
Waser, Corminboeuf. Associated publication:
10.1002/anie.202420455
.
Dataset
compound characterization
rlaplaza/spock: Release for the manuscript
Corminboeuf. Associated publication:
10.1021/acscatal.5c00412
.
Software
sfa_flooring
Wang, Hellweg. Associated publication:
10.1021/acs.est.4c04164
.
Model
2023
ART Polymerization Networks
Reiher. Associated publication:
10.1021/acs.jcim.3c00102
.
Dataset
An evolved artificial radical cyclase enables the construction of bicyclic terpenoid scaffolds via an H-atom transfer pathway
Ward. Associated publication:
10.1038/s41557-024-01562-5
.
Dataset
Chemical compounds standardization with language models
Laino. Associated publication:
10.1088/2632-2153/ace878
.
Software
Controlling the selectivity of the hydrogenolysis of polyamides catalysed by ceria-supported metal nanoparticles
Dyson. Associated publication:
10.1038/s41467-023-42246-x
.
Dataset
Data to support the article "Benchmarking machine-readable vectors of chemical reactions on computed activation barriers"
Corminboeuf. Associated publication:
10.1039/d3dd00175j
.
Dataset
Dataset for Quantitative description of metal center organization in single-atom catalysts
Pérez-Ramírez. Associated publication:
10.1002/adma.202307991
.
Dataset
Dataset for publication "Parallel experiments in electrochemical CO2 reduction enabled by standardized analytics"
Battaglia. Associated publication:
10.1038/s41929-024-01172-x
.
Dataset
Enhanced deep-learning model for carbon footprints of chemicals
Hellweg. Associated publication:
10.1021/acssuschemeng.3c07038
.
Dataset
Evidence of bifunctionality of carbons and metal atoms in catalyzed acetylene hydrochlorination
Jeschke, Pérez-Ramírez. Associated publication:
10.1038/s41467-023-41344-0
.
Dataset
LibGENiE – A bioinformatic pipeline for the design of information-enriched enzyme libraries
Buller. Associated publication:
10.1016/j.csbj.2023.09.013
.
Dataset
Raw data for the article "One-Pot Synthesis of Functionalized Bis(trifluoromethylated) Benziodoxoles from Iodine(I) Precursors"
Waser. Associated publication:
10.1039/d3cc04525k
.
Dataset
Supporting Information for the Journal Article "Quantum Chemical Data Generation as Fill-In for Reliability Enhancement of Machine-Learning Reaction and Retrosynthesis Planning"
Laino, Reiher. Associated publication:
10.1039/d3dd00006k
.
Dataset
Surface chemistry dictates the enhancement of luminescence and stability of InP QDs upon c-ALD ZnO hybrid shell growth
Buonsanti. Associated publication:
10.1021/jacsau.3c00457
.
Dataset
The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis
Buller. Associated publication:
10.1038/s41929-023-01018-y
.
Dataset
Dataset of Computational prediction of complex cationic rearrangement outcomes
Associated publication:
10.1038/s41586-023-06854-3
.
Software
Electrostatic [FeFe]-hydrogenase–carbon nitride assemblies for efficient solar hydrogen production
Milton. Associated publication:
10.1039/d4sc00640b
.
Dataset
M-ZnZrOx
Associated publication:
10.1038/s41467-024-47447-6
.
Dataset
NC_proximity_effects_TEM
Pérez-Ramírez. Associated publication:
10.1002/adma.202307991
.
Dataset
Pd_cross_coupling_droplet_XAS
Associated publication:
10.1002/anie.202401056
.
Dataset
Pt_acetylene_hydrochlorination
Associated publication:
10.1038/s41467-023-41344-0
.
Dataset
Reaction-agnostic featurization of bidentate ligands for Bayesian ridge regression of enantioselectivity
Waser, Corminboeuf. Associated publication:
10.1021/acscatal.4c02452
.
Dataset
A customized Bayesian algorithm to optimize enzyme-catalyzed reactions
Ward.
Dataset
Dataset for "Automated prediction of ground state spin for transition metal complexes"
Corminboeuf. Associated publication:
10.1039/d4dd00093e
.
Dataset
Dataset for "Data-Driven Discovery of Organic Electronic Materials Enabled by Hybrid Top-Down/Bottom-Up Design"
Corminboeuf. Associated publication:
10.1002/adma.202305602
.
Dataset
Dataset of Biomimetic tail-to-head terpene cyclizations using the resorcin[4]arene capsule catalyst
Associated publication:
10.1038/s41596-023-00919-3
.
Dataset
Dataset supporting "A genetic optimization strategy with generality in asymmetric organocatalysis as a primary target"
Corminboeuf. Associated publication:
10.1039/d3sc06208b
.
Dataset
Dataset supporting "From Organic Fragments to Photoswitchable Catalysts: The OFF–ON Structural Repository for Transferable Kernel-Based Potentials"
Corminboeuf. Associated publication:
10.1021/acs.jcim.3c01953
.
Dataset
Dataset supporting Engineering frustrated lewis pair active sites in porous organic scaffolds for catalytic CO₂ hydrogenation
Corminboeuf. Associated publication:
10.1021/jacs.4c01890
.
Dataset
Datasets used in Aligned Diffusion Schroedinger Bridges
Krause. Associated publication:
10.48550/arxiv.2302.11419
.
Software
Leveraging large language models for predictive chemistry
Schwaller. Associated publication:
10.1038/s42256-023-00788-1
.
Dataset
Manganese Transfer Hydrogenases Based on the Biotin‐Streptavidin Technology
Ward. Associated publication:
10.1002/anie.202311896
.
Dataset
reply-physics-reactions
Corminboeuf. Associated publication:
10.1088/2632-2153/acee43
.
Software
sac_ml
Associated publication:
10.1039/d3ta05898k
.
Dataset
A Cation Concentration Gradient Approach to Tune the Selectivity and Activity of CO2 Electroreduction
Hu. Associated publication:
10.1002/anie.202214173
.
Dataset
A Customized Bayesian Algorithm to Optimize Enzyme-Catalyzed Reactions
Ward. Associated publication:
10.1021/acssuschemeng.3c02402
.
Dataset
Absolute environmental sustainability assessment of renewable dimethyl ether fuelled heavy-duty trucks
Guillén-Gosálbez, Pérez-Ramírez. Associated publication:
10.1039/D2SE01409B
.
Dataset
Activation in the rate of oxygen release of Sr0.8Ca0.2FeO3−δ through removal of secondary surface species with thermal treatment in a CO2-free atmosphere
Müller. Associated publication:
10.1039/d2ta09102j
.
Dataset
Assessing the Environmental Potential of Hydrogen from Waste Polyethylene
Guillén-Gosálbez. Associated publication:
10.1016/B978-0-323-85159-6.50322-5
.
Dataset
Assessing the environmental benefit of palladium-based single-atom heterogeneous catalysts for Sonogashira coupling
Marti, Guillén-Gosálbez, Pérez-Ramírez. Associated publication:
10.1039/D2GC01853E
.
Dataset
Bayesian Symbolic Learning to Build Analytical Correlations from Rigorous Process Simulations: Application to CO2 Capture Technologies
Guillén-Gosálbez. Associated publication:
10.1021/acsomega.2c04736
.
Dataset
Boosting Nitrate to Ammonia Electroconversion through Hydrogen Gas Evolution over Cu-foam@mesh Catalysts
Broekmann. Associated publication:
10.1021/acscatal.3c00716
.
Dataset
CO2 Conversion at High Current Densities: Stabilization of Bi(III) Containing Electrocatalysts under CO2 Gas Flow Conditions
Broekmann.
Dataset
Chlorination of arenes via the degradation of toxic chlorophenols
Dyson.
Dataset
Chlorine-Promoted Copper Catalysts for CO2 Electroreduction into Highly Reduced Products
Pérez-Ramírez. Associated publication:
10.1016/j.xcrp.2023.101294
.
Dataset
Combining Atomic Layer Deposition with Surface Organometallic Chemistry to Enhance Atomic-Scale Interactions and Improve the Activity and Selectivity of Cu–Zn/SiO2 Catalysts for the Hydrogenation of CO2 to Methanol
Copéret, Nachtegaal, Müller. Associated publication:
10.1021/jacsau.3c00319
.
Dataset
Data Set for Copper-Catalyzed Benzylic Functionalization of Lignin-Derived Monomers
Hu. Associated publication:
10.1002/cssc.202300703
.
Dataset
Data for "Transparent Porous Conductive Substrates for Gas-Phase Photoelectrochemical Hydrogen Production"
Sivula. Associated publication:
10.1002/adma.202208740
.
Dataset
Data for article "Solid-State NMR Spectra of Protons and Quadrupolar Nuclei at 28.2 T: Resolving Signatures of Surface Sites with Fast Magic Angle Spinning"
Copéret. Associated publication:
10.1021/jacsau.2c00510
.
Dataset
Data from: Cu+ transient species mediate Cu catalyst reconstruction during CO2 electroreduction
Buonsanti. Associated publication:
10.1038/s41929-023-01070-8
.
Dataset
Data set for the journal article: Colloidal-ALD Grown Metal Oxide Shells Enable the Synthesis of Photoactive Ligand/ Nanocrystal Composite Materials
Buonsanti. Associated publication:
10.1021/jacs.3c01439
.
Dataset
Data set for the journal article: Social life cycle assessment of green methanol and benchmarking against conventional fossil methanol
Guillén-Gosálbez. Associated publication:
10.1016/j.scitotenv.2022.153840
.
Dataset
Data set for the journal article "Hydrogen dissociation sites on indium-based ZrO2-supported catalysts for hydrogenation of CO2 to methanol"
Müller. Associated publication:
10.1016/j.cattod.2021.04.010
.
Dataset
Data set for the journal article: Site-Specific Protein Ubiquitylation Using an Engineered, Chimeric E1 Activating Enzyme and E2 SUMO Conjugating Enzyme Ubc9
Associated publication:
10.1021/acscentsci.1c01490
.
Dataset
Data-Driven Elucidation of Flavor Chemistry
Hellweg. Associated publication:
10.1021/acs.jafc.3c00909
.
Dataset
Dataset and Code for the Research Paper: "A Smile is All You Need: Predicting Limiting Activity Coefficients from SMILES with Natural Language Processing."
Bardow. Associated publication:
10.1039/D2DD00058J
.
Dataset
Dataset for "Importance of Substrate Pore Size and Wetting Behavior in Gas Diffusion Electrodes for CO2 Reduction"
Battaglia. Associated publication:
10.1021/acsaem.2c03054
.
Dataset
Dataset for Colloidal CsPbX3 Nanocrystals with Thin Metal Oxide Gel Coatings
Kovalenko. Associated publication:
10.1021/acs.chemmater.2c03562
.
Dataset
Dataset for Precursor Nuclearity and Ligand Effects in Atomically-Dispersed Heterogeneous Iron Catalysts for Alkyne Semi-Hydrogenation
Pérez-Ramírez. Associated publication:
10.1002/cctc.202100235
.
Dataset
Dataset for Process design within planetary boundaries: Application to CO2 based methanol production
Guillén-Gosálbez. Associated publication:
10.1016/j.ces.2021.116891
.
Dataset
Dataset for Reaction-Induced Formation of Stable Mononuclear Cu(I)Cl Species on Carbon for Low-Footprint Vinyl Chloride Production
Jeschke, Nachtegaal, Guillén-Gosálbez, Pérez-Ramírez. Associated publication:
10.1002/adma.202211464
.
Dataset
Dataset: Economic and Environmental Barriers of CO2‑Based Fischer−Tropsch Electro-Diesel
Guillén-Gosálbez. Associated publication:
10.1021/acssuschemeng.2c01983
.
Dataset
Dataset: Facile functionalization of carbon electrodes for efficient electroenzymatic hydrogen production
Broekmann, Milton. Associated publication:
10.1021/jacsau.2c00551
.
Dataset
Dataset: The implications of microalgae biofuel production for the heavy-duty transport sector under planetary boundary perspective
Guillén-Gosálbez. Associated publication:
10.1021/acssuschemeng.3c00750
.
Dataset
Deciphering the structural dynamics in molten salt-promoted MgO-based CO2 sorbents and their role in the CO2 uptake. Open data access
Müller. Associated publication:
10.1126/sciadv.adg5690
.
Dataset
DeepCV: A Deep Learning Framework for Blind Search of Collective Variables in Expanded Configurational Space
Luber. Associated publication:
10.1021/acs.jcim.2c00883
.
Dataset
Design of Flame-Made ZnZrOx Catalysts for Sustainable Methanol Synthesis from CO2
Jeschke, Stark, Pérez-Ramírez. Associated publication:
10.1002/aenm.202204122
.
Dataset
Diformylxylose as a new polar aprotic solvent produced from renewable biomass
Luterbacher. Associated publication:
10.1039/D1GC00641J
.
Dataset
Direct conversion of lignin to functionalized diaryl ethers via oxidative cross-coupling
Dyson. Associated publications:
10.1038/s41467-023-38534-1
,
10.1038/s41557-024-01462-8
.
Dataset
Droplet-Based Microfluidics Platform for the Synthesis of Single-Atom Heterogeneous Catalysts
deMello, Pérez-Ramírez. Associated publication:
10.1002/sstr.202200284
.
Dataset
Economic and Environmental Performance of an Integrated CO2 Refinery
Guillén-Gosálbez. Associated publication:
10.1021/acssuschemeng.2c06724
.
Dataset
Effects of surface wettability on (001)-WO3 and (100)-WSe2 : A spin-polarized DFT-MD study
Sivula, Luber. Associated publication:
10.1016/j.apsusc.2022.154203
.
Dataset
Elucidating the transition between CO2 physisorption and chemisorption in 1,2,4-triazolate ionic liquids at a molecular level
Dyson. Associated publication:
10.1016/j.cej.2022.134956
.
Dataset
Energy crisis in Europe enhances the sustainability of green chemicals
Guillén-Gosálbez, Pérez-Ramírez. Associated publication:
10.1039/D3GC01053H
.
Dataset
Enhancing diversity in language based models for single-step retrosynthesis
Laino. Associated publication:
10.1039/d2dd00110a
.
Dataset
Environmental Sustainability Assessment of Hydrogen from Waste Polymers
Guillén-Gosálbez, Pérez-Ramírez. Associated publication:
10.1021/acssuschemeng.2c05729
.
Dataset
Environmental and economic potential of decentralised electrocatalytic ammonia synthesis powered by solar energy
Guillén-Gosálbez, Pérez-Ramírez. Associated publication:
10.1039/D2EE02683J
.
Dataset
Environmental sustainability assessment of large-scale hydrogen production using prospective life cycle analysis
Guillén-Gosálbez. Associated publication:
10.1016/j.ijhydene.2022.11.044
.
Dataset
Evaluation of the potential use of e-fuels in the European aviation sector: a comprehensive economic and environmental assessment including externalities
Guillén-Gosálbez. Associated publication:
10.1039/D2SE00757F
.
Dataset
Flame-made ternary Pd-In2O3-ZrO2 catalyst with enhanced oxygen vacancy generation for CO2 hydrogenation to methanol
Jeschke, Nachtegaal, Stark, Pérez-Ramírez. Associated publication:
10.1038/s41467-022-33391-w
.
Dataset
GAME-Net
Associated publication:
10.1038/s43588-023-00437-y
.
Dataset
Hybridization of Fossil- and CO2-Based Routes for Ethylene Production using Renewable Energy
Guillén-Gosálbez, Pérez-Ramírez. Associated publication:
10.1002/cssc.202001312
.
Dataset
Implications of Ga Promotion and Metal-Oxide Interface from Tailored PtGa Propane Dehydrogenation Catalysts Supported on Carbon
Copéret. Associated publication:
10.1039/d3sc04711c
.
Dataset
Language models and protocol standardization guidelines for accelerating synthesis planning in heterogeneous catalysis
Laino, Pérez-Ramírez. Associated publication:
10.1038/s41467-023-43836-5
.
Dataset
Legacy and Emerging Plasticizers and Stabilizers in PVC Floorings - Rawdata
Wang, Hellweg. Associated publication:
10.1021/acs.est.3c04851
.
Dataset
Life Cycle Assessment (LCA) calculations for the article "Geminal-atom catalysis for cross-coupling"
Guillén-Gosálbez.
Dataset
Low-Valent Manganese Atoms Stabilized on Ceria for Nitrous Oxide Synthesis
Jeschke, Pérez-Ramírez. Associated publication:
10.1002/adma.202211260
.
Dataset
Machine Learning-Assisted Discovery of Hidden States in Expanded Free Energy Space
Luber. Associated publication:
10.1021/acs.jpclett.1c04004
.
Dataset
Mechanistic classification and benchmarking of polyolefin depolymerization over silica-alumina-based catalysts
Dyson. Associated publication:
10.1038/s41467-022-32563-y
.
Dataset
Multi-Scale Representation Learning on Proteins
Krause. Associated publication:
10.48550/arXiv.2204.02337
.
Dataset
Navigating within the Safe Operating Space with Carbon Capture On-Board
Guillén-Gosálbez. Associated publication:
10.1021/acssuschemeng.2c04627
.
Dataset
Pathways to enhance electrochemical CO2 reduction identified through direct pore-level modeling (data for figures)
Haussener. Associated publication:
10.1039/D3EY00122A
.
Dataset
Peering into buried interfaces with X-rays andelectrons to unveil MgCO3formation during CO2capture in molten salt-promoted MgO
Müller. Associated publication:
10.1073/pnas.2103971118
.
Dataset
Planetary Boundaries Analysis of Low-Carbon Ammonia Production Routes
Guillén-Gosálbez, Pérez-Ramírez. Associated publication:
10.1021/acssuschemeng.1c01915
.
Dataset
Planetary Boundaries Assessment of Flue Gas Valorization into Ammonia and Methane
Guillén-Gosálbez.
Dataset
Planetary boundaries analysis of Fischer-Tropsch Diesel for decarbonizing heavy-duty transport
Guillén-Gosálbez. Associated publication:
10.1016/B978-0-323-85159-6.50328-6
.
Dataset
Planetary boundaries assessment of deep decarbonisation options for building heating in the European Union
Guillén-Gosálbez. Associated publication:
10.1016/j.enconman.2022.116602
.
Dataset
Raw Data for the Article "Cyclopentadienone triisocyanide iron complexes: general synthesis and crystal structures of tris(2,6-dimethylphenyl isocyanide)(η4-tetraphenylcyclopentadienone)iron and tris(naphthalen-2-yl isocyanide)(η4-tetraphenylcyclopentadienone)iron acetone hemisolvate"
Associated publication:
10.1021/acs.organomet.2c00341
.
Dataset
Raw Data for the Article "Zwitterionic Halido Cyclopentadienone Iron Complexes and Their Catalytic Performance in Hydrogenation Reactions"
Associated publication:
10.1021/acs.inorgchem.2c04298
.
Dataset
Raw data for article "Acyl-Ethynylbenziodoxolone (acyl-EBX): Access to Ketene Dithio-arylacetals"
Waser. Associated publication:
10.1021/acs.orglett.3c02869
.
Dataset
Raw data for article "Iron-catalyzed synthesis of α-azido α-amino esters via the alkylazidation of alkenes"
Waser. Associated publication:
10.1021/acs.orglett.3c02153
.
Dataset
Raw data for the Article "Cyclopentadienone Iron Complex-Catalyzed Hydrogenation of Ketones: An Operando Spectrometric Study Using Pressurized Sample Infusion-Electrospray Ionization-Mass Spectrometry"
Associated publication:
10.1107/s205698902300498x
.
Dataset
Raw data for the article " Azido-Alkynylation of Alkenes Through Radical-Polar Crossover "
Waser. Associated publication:
10.1039/d3sc03309k
.
Dataset
Raw data for the article "Effective perspiration is essential to uphold the stability of zero-gap MEA-based cathodes used in CO2 electrolysers"
Broekmann. Associated publication:
10.1039/D2TA06965B
.
Dataset
Raw data for the article "The role of ionomers in the electrolyte management of zero-gap MEA-based CO2 electrolysers: A Fumion vs. Nafion comparison''
Broekmann. Associated publication:
10.1016/j.apcatb.2023.122885
.
Dataset
Raw data for the article "Unwrap Them First: Operando Potential-induced Activation Is Required when Using PVP-Capped Ag Nanocubes as Catalysts of CO₂ Electroreduction"
Broekmann. Associated publication:
10.2533/chimia.2021.163
.
Dataset
Raw data for the article: High-throughput computational solvent screening for lignocellulosic biomass processing
Luterbacher. Associated publication:
10.1016/j.cej.2022.139476
.
Dataset
Regionalized life cycle assessment of present and future lithium production for Li-ion batteries
Hellweg. Associated publication:
10.1016/j.resconrec.2022.106611
.
Dataset
Reversible transformation of sub-nanometer Ga-based clusters to isolated [4]Ga(4Si) sites creates active centers for propane dehydrogenation
Müller. Associated publication:
10.1039/d3cy01446k
.
Dataset
Selectivity Control in Palladium-Catalyzed CH2Br2 Hydrodebromination on Carbon-Based Materials by Nuclearity and Support Engineering
Nachtegaal, Pérez-Ramírez. Associated publication:
10.1021/acscatal.2c06394
.
Dataset
Supporting Information for the Journal Article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment"
Reiher. Associated publication:
10.1063/5.0136526
.
Dataset
Supporting Information for the Journal Article "Quantum Chemical Data Generation as Fill-In for Reliability Enhancement of Machine-Learning Reaction and Retrosynthesis Planning"
Laino, Reiher.
Dataset
Supporting Information for the article "Exploring Photoredox-Catalyzed (Re)functionalizations with Core-Modified Benziodoxolones"
Waser. Associated publication:
10.1002/hlca.202200161
.
Dataset
The promotional role of Mn in CO2 hydrogenation over Rh-based catalysts from a surface organometallic chemistry approach
Copéret. Associated publication:
10.1039/D3SC01163A
.
Dataset
The role of hydrogen in heavy transport to operate within planetary boundaries
Guillén-Gosálbez. Associated publication:
10.1039/D1SE00790D
.
Dataset
The structural evolution of Mo2C and Mo2C/SiO2 under dry reforming of methane conditions: morphology and support effects
Müller. Associated publication:
10.1039/D2CY00729K
.
Dataset
Trade-offs between Sustainable Development Goals in carbon capture and utilisation
Guillén-Gosálbez, Pérez-Ramírez. Associated publication:
10.1039/D2EE01153K
.
Dataset
Ultrahigh Mass Activity Pt Entities Consisting of Pt Single atoms, Clusters, and Nanoparticles for Improved Hydrogen Evolution Reaction
Nachtegaal. Associated publication:
10.1002/smll.202205885
.
Dataset
equidock_public
Krause. Associated publication:
10.48550/arXiv.2111.07786
.
Software
lcmd-epfl/MLKRR: First release!
Corminboeuf. Associated publication:
10.1088/2632-2153/ac8e4f
.
Dataset
lcmd-epfl/mlr_organocatalyst_fragments: Zenodo deposited version of the code and data
Corminboeuf. Associated publication:
10.1039/D2QO00550F
.
Dataset
lcmd-epfl/molassembler_script: Zenodo release updater
Reiher, Corminboeuf. Associated publication:
10.1039/D2SC01714H
.
Dataset
raw characterization data for the article "Synthesis of Propargyl Silanes from Terminal Alkynes via a Migratory Sonogashira Reaction"
Waser. Associated publication:
10.1039/D3CC01847D
.
Dataset
raw data for the article "Copper(I)-BOX Catalyzed Asymmetric 3-Component Reaction for the Synthesis of Trifluoromethylated Propargylic Ethers and Anilines"
Waser. Associated publication:
10.1002/anie.202305776
.
Dataset
2022
Sustainable polyesters via direct functionalization of lignocellulosic sugars
Marti, Luterbacher.
Dataset
Cu-CO3
Pérez-Ramírez. Associated publication:
10.1021/jacs.3c08079
.
Dataset
FG-dataset (DFT)
Associated publication:
10.1038/s43588-023-00437-y
.
Dataset
Mn_SAC_N2O
Jeschke, Pérez-Ramírez. Associated publication:
10.1002/adma.202211260
.
Dataset
A generalized machine learning framework to predict the space-time yield of methanol from thermocatalytic CO2 hydrogenation
Pérez-Ramírez. Associated publication:
10.1016/j.apcatb.2022.121530
.
Dataset
Algorithm-aided engineering of aliphatic halogenase WelO5* for the asymmetric late-stage functionalization of soraphens
Buller. Associated publication:
10.1038/s41467-022-27999-1
.
Dataset
Altering Oxygen Binding by Redox-Inactive Metal Substitution to Control Catalytic Activity: Oxygen Reduction on Manganese Oxide Nanoparticles as a Model System
Müller. Associated publication:
10.1002/anie.202217186
.
Dataset
An Artificial Metalloenzyme Based on a Copper Heteroscorpionate Enables sp3 C–H Functionalization via Intramolecular Carbene Insertion
Ward. Associated publication:
10.1021/jacs.2c03311
.
Dataset
Catalytic Synergies in Bimetallic Ru-Pt Single-Atom Catalysts via Speciation Control
Nachtegaal, Pérez-Ramírez. Associated publication:
10.1002/adfm.202206513
.
Dataset
Chemical Looping Partial Oxidation of Methane: Reducing Carbon Deposition through Alloying
Müller. Associated publication:
10.1021/acs.energyfuels.2c01345
.
Dataset
Colloidal-ALD Grown Hybrid Shells Nucleate via a Ligand–Precursor Complex
Buonsanti. Associated publication:
10.1021/jacs.1c12538
.
Dataset
Controlled Formation of Dimers and Spatially Isolated Atoms in Bimetallic Au-Ru Catalysts via Carbon-Host Functionalization
Pérez-Ramírez. Associated publication:
10.1002/smll.202200224
.
Dataset
CuOCl
Pérez-Ramírez. Associated publication:
10.1016/j.xcrp.2023.101294
.
Dataset
Data Set for the Journal Article "Autonomous Reaction Network Exploration in Homogeneous and Heterogeneous Catalysis"
Reiher. Associated publication:
10.1007/s11244-021-01543-9
.
Dataset
Data set for the journal article "Improving the lifetime of hybrid CoPc@MWCNT catalysts for selective electrochemical CO2-to-CO conversion"
Broekmann.
Dataset
Data set for the journal article Structural Analysis of Metal Coordination Sites in Single-Atom Catalysts Based on Carbon Nitrides
Copéret, Nachtegaal, Pérez-Ramírez, Müller. Associated publication:
10.1002/smll.202202080
.
Dataset
Data set for the journal article "Surface Intermediates in In-Based ZrO2-Supported Catalysts for Hydrogenation of CO2 to Methanol"
Copéret, Müller. Associated publication:
10.1021/acs.jpcc.1c08814
.
Dataset
Data to support "Physics-based representations for machine learning properties of chemical reactions
Corminboeuf. Associated publication:
10.1088/2632-2153/ac8f1a
.
Dataset
Data to the journal article "The capping agent is the key: Structural alterations of Ag NPs during CO2 electrolysis probed in a zero-gap gas-flow configuration"
Broekmann. Associated publication:
10.1016/j.jcat.2021.10.016
.
Dataset
Dataset for "Oxidase-type C-H/C-H coupling using an isoquinoline-derived organic photocatalyst"
Hu. Associated publication:
10.1002/anie.202202649
.
Dataset
Dataset for Automated Image Analysis for Single-Atom Detection in Catalytic Materials by Transmission Electron Microscopy
Pérez-Ramírez. Associated publication:
10.1021/jacs.1c12466
.
Dataset
Dataset of "Quantifying Photoinduced Polaronic Distortions in Inorganic Lead Halide Perovskites Nanocrystals" publication
Kovalenko. Associated publication:
10.1021/jacs.1c02403
.
Dataset
Dataset of "Tracking high-valent surface iron species in the oxygen evolution reaction on cobalt iron (oxy)hydroxides"
Hu. Associated publication:
10.1039/D1EE02999A
.
Dataset
Dataset to: Unraveling Radical and Oxygenate Routes in the Oxidative Dehydrogenation of Propane over Boron Nitride
Bodi, Pérez-Ramírez. Associated publication:
10.1021/jacs.2c12970
.
Dataset
Dataset: Ketenes in the Induction of the Methanol-to-Olefins Process
Bodi. Associated publication:
10.1002/anie.202207777
.
Dataset
Design of Flame-Made ZnZrOx Catalysts for Sustainable Methanol Synthesis from CO₂
Jeschke, Stark, Pérez-Ramírez. Associated publication:
10.1002/aenm.202204122
.
Dataset
Dual Photoredox and Copper Catalysis: Enantioselective 1,2- Amidocyanation of 1,3-Dienes
Zhu. Associated publication:
10.1021/acscatal.3c01782
.
Dataset
Elucidation of radical- and oxygenate-driven paths in zeolite-catalyzed conversion of methanol and methyl chloride to hydrocarbons
Bodi, Jeschke, Pérez-Ramírez. Associated publication:
10.1038/s41929-022-00808-0
.
Dataset
From ethene to propene (ETP) on tailored silica–alumina supports with isolated Ni(ii) sites: uncovering the importance of surface nickel aluminate sites and the carbon-pool mechanism
Müller. Associated publication:
10.1039/D2CY01272C
.
Dataset
Long-chain hydrocarbons by CO2 electroreduction using polarized nickel catalysts
Pérez-Ramírez. Associated publication:
10.1038/s41929-022-00803-5
.
Dataset
Machine learning meets volcano plots: Computational discovery of cross-coupling catalysts
Laino. Associated publication:
10.1039/d2dd00125j
.
Dataset
Migrative Carbofluorination of Saturated Amides Enabled by Pd-Based Dyotropic Rearrangement
Zhu, Corminboeuf. Associated publication:
10.1021/jacs.2c06578
.
Dataset
Novel Ni Foam Catalysts for Sustainable Nitrate to Ammonia Electroreduction
Broekmann. Associated publication:
10.1016/j.jhazmat.2022.129504
.
Dataset
OSCAR: An extensive repository of chemically and functionally diverse organocatalysts
Corminboeuf. Associated publication:
10.1039/D2SC04251G
.
Dataset
Pd_hydrodebromination
Nachtegaal, Pérez-Ramírez. Associated publication:
10.1021/acscatal.2c06394
.
Dataset
Raw data for article "Palladium-Catalyzed trans-Hydroalkoxylation: Counterintuitive Use of an Aryl Iodide Additive to Promote C-H Bond Formation"
Waser. Associated publication:
10.1021/acscatal.2c01809
.
Dataset
Raw data for the article " Pd(II)-Catalyzed Aminoacetoxylation of Alkenes via Tether Formation"
Waser. Associated publication:
10.1021/acs.orglett.2c01838
.
Dataset
Raw data for the article "Asymmetric Cyclopropanation and Epoxidation via a Catalytically Formed Chiral Auxiliary"
Waser. Associated publication:
10.1002/anie.202113925
.
Dataset
Raw data for the article "Size-Dependent Structural Alterations in Ag Nanoparticles During CO2 Electrolysis in a Gas-Fed Zero-Gap Electrolyzer"
Broekmann. Associated publication:
10.1002/celc.202200615
.
Dataset
Raw data for the article "Visualisation and quantification of flooding phenomena in gas diffusion electrodes used for electrochemical CO2 reduction: A combined EDX/ICP–MS approach"
Broekmann. Associated publication:
10.1016/j.jcat.2022.02.014
.
Dataset
Raw data for the journal article "Cracks as efficient tools to mitigate flooding in gas diffusion electrodes used for the electrochemical reduction of carbon dioxide"
Broekmann. Associated publication:
10.1002/smtd.202200369
.
Dataset
Redispersion strategy for high-loading carbon-supported metal catalysts with controlled nuclearity
Jeschke, Pérez-Ramírez. Associated publication:
10.1039/D1TA09238C
.
Dataset
Structure of Na Species in Promoted CaO-Based Sorbents and Their Effect on the Rate and Extent of the CO2 Uptake
Copéret, Müller. Associated publication:
10.1002/adfm.202302916
.
Dataset
Supplementary Material for Mapping Active Site Geometry to Activity in Immobilized Frustrated Lewis Pair Catalysts
Corminboeuf. Associated publication:
10.1002/anie.202202727
.
Dataset
Supramolecular Capsule Catalysis Enables the Exploration of Terpenoid Chemical Space Untapped by Nature
Associated publication:
10.1002/anie.202218625
.
Dataset
Sustainable polyesters via direct functionalization of lignocellulosic sugars
Luterbacher. Associated publication:
10.1038/s41557-022-00974-5
.
Dataset
Synergistic_bimetallic_Pt-Ru_NC
Nachtegaal, Pérez-Ramírez. Associated publication:
10.1002/adfm.202206513
.
Dataset
WelO5* bound to Zn(II), Cl, and 2-oxoglutarate
Buller. Associated publication:
10.1002/cctc.202201115
.
Dataset
Zibunas/Towards-circular-plastics-within-planetary-boundaries: Matlab code & result data
Bardow, Guillén-Gosálbez. Associated publication:
10.1038/s41893-022-01054-9
.
Dataset
cell2mol: encoding chemistry to interpret crystallographic data
Corminboeuf. Associated publication:
10.1038/s41524-022-00874-9
.
Dataset
lcmd-epfl/NaviCatGA: v1.0.0
Corminboeuf.
Dataset
rxn4chemistry/biocatalysis-model: Initial Release
Laino. Associated publication:
10.1038/s41467-022-28536-w
.
Dataset
2021
1,3,2-Diazaphospholene-Catalyzed Reductive Cyclizations of Organohalides
Cramer. Associated publication:
10.1002/anie.202202306
.
Dataset
Assessing the persistence of chalcogen bonds in solution with neural network potentials
Corminboeuf. Associated publication:
10.1063/5.0085153
.
Dataset
Bene94/Plastic-supply-chain-model-including-matlab-code-: V1.0
Bardow, Guillén-Gosálbez. Associated publication:
10.1038/s41893-022-01054-9
.
Dataset
CH2Br2_Hydrodebromination
Pérez-Ramírez. Associated publication:
10.1021/acscatal.1c04345
.
Dataset
CH2Br2_Hydrodebromination_Additional
Pérez-Ramírez. Associated publication:
10.1021/acscatal.1c04345
.
Dataset
Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization
Cramer. Associated publication:
10.1021/acscatal.1c03153
.
Dataset
Data of "Modulating Electric Field Distribution by Alkali Cations for CO2 Electroreduction in Strongly Acidic Medium"
Haussener, Hu. Associated publication:
10.1038/s41929-022-00761-y
.
Dataset
Dataset for "Perovskite Quantum Dots for Super-Resolution Optical Microscopy: Where Strong Photoluminescence Blinking Matters"
Kovalenko. Associated publication:
10.1002/adom.202100620
.
Dataset
Dataset: Sustainability footprints of a renewable carbon transition for the petrochemical sector within planetary boundaries
Guillén-Gosálbez, Pérez-Ramírez. Associated publication:
10.1016/j.oneear.2021.04.001
.
Dataset
Descriptor_acetylene_hydrochlorination
Nachtegaal, Pérez-Ramírez. Associated publication:
10.1038/s41565-022-01105-4
.
Dataset
Eectronic Regulation of Ni Single Atom by Confined Ni Nanoparticles for Energy-Efficient CO2 Electroreduction
Hu. Associated publication:
10.1002/anie.202203335
.
Dataset
Elucidating the structure-dependent selectivity towards methane and ethanol of CuZn in the CO2 electroreduction using tailored Cu/ZnO precatalysts
Buonsanti. Associated publication:
10.1039/D1SC04271H
.
Dataset
Elucidating the structure-dependent selectivity towards methane and ethanol of CuZn in the CO2 electroreduction using tailored Cu/ZnO precatalysts
Buonsanti. Associated publication:
10.1039/D1SC04271H
.
Dataset
Flame Spray Pyrolysis as a Synthesis Platform to Assess Metal Promotion in In₂O₃-Catalyzed CO₂ Hydrogenation
Nachtegaal, Stark, Pérez-Ramírez. Associated publication:
10.1002/aenm.202103707
.
Dataset
Genetic optimization of homogeneous catalysts
Corminboeuf. Associated publication:
10.1002/cmtd.202100107
.
Dataset
Highly Selective Oxidative Dehydrogenation of Ethane to Ethylene via Chemical Looping with Oxygen Uncoupling through Structural Engineering of the Oxygen Carrier
Müller. Associated publication:
10.1002/aenm.202200405
.
Dataset
Hydrodehalogenation
Pérez-Ramírez. Associated publication:
10.1021/acscatal.1c04345
.
Dataset
Ir_Pt_Ru_Ni_nuclearity_hydrodehalogenation
Pérez-Ramírez. Associated publication:
10.1016/j.jcat.2021.10.008
.
Dataset
Na-β-Al2O3 stabilized Fe2O3 oxygen carriers for chemical looping water splitting: correlating structure with redox stability
Müller. Associated publication:
10.1039/d1ta10507h
.
Dataset
Propylene
Pérez-Ramírez. Associated publication:
10.1039/D1CY01423D
.
Dataset
Raw data for article "Photocatalytic Umpolung of N- and O- Substituted Alkenes for the Synthesis of 1,2-Amino Alcohols and Diols"
Waser. Associated publication:
10.1039/D0SC03655B
.
Dataset
Raw data for the article "Activity-Based Approach for Selective Molecular CO2 Sensing"
Morandi. Associated publication:
10.1021/jacs.2c02361
.
Dataset
Raw data for the article "Cu(I)-Catalyzed gem-Aminoalkynylation of Diazo Compounds: Synthesis of Fluorinated Propargylic Amines"
Waser. Associated publication:
10.1021/acs.joc.1c01423
.
Dataset
Raw data for the article "Enantioselective Carboetherification/Hydrogenation for the Synthesis of Amino Alcohols via a Catalytically-Formed Chiral Auxiliary"
Waser. Associated publication:
10.1021/jacs.0c09177
.
Dataset
Raw data for the article "Pd-Catalyzed Direct Deoxygenative Arylation of Non-π-Extended Benzyl Alcohols with Boronic Acids via Transient Formation of Non-Innocent Isoureas"
Morandi. Associated publication:
10.1021/acscatal.2c01858
.
Dataset
Raw data for the article "Preparation of Recyclable and Versatile Porous Poly(aryl thioether)s by Reversible Pd-Catalyzed C–S/C–S Metathesis"
Morandi. Associated publication:
10.1021/jacs.1c09884
.
Dataset
Raw data for the article "Tosyloxybenziodoxolone: A Platform for Performing the Umpolung of Alkynes in One-pot Transformations"
Waser. Associated publication:
10.1021/acs.orglett.1c03771
.
Dataset
Structural insight into an atomic layer deposition (ALD) grown Al2O3 layer on Ni/SiO2: impact on catalytic activity and stability in dry reforming of methane
Copéret, Müller. Associated publication:
10.1039/D1CY01149A
.
Dataset
Taming the radical cation intermediate enabled one-step access to structurally diverse lignans
Zhu. Associated publication:
10.1038/s41467-022-31000-4
.
Dataset
The dataset related to the manuscript "Improving the lifetime of hybrid CoPc@MWCNT catalysts for selective electrochemical CO2-to-CO conversion"
Broekmann. Associated publication:
10.1016/j.jcat.2022.02.001
.
Dataset
descriptor_acetylene_hydrochlorination
Nachtegaal, Pérez-Ramírez. Associated publication:
10.1038/s41565-022-01105-4
.
Dataset
eFTS-nickel
Pérez-Ramírez. Associated publication:
10.1038/s41929-022-00803-5
.
Dataset
lcmd-epfl/EPSim: First release of EPSim
Corminboeuf. Associated publication:
10.1039/D0SC04289G
.
Dataset
lcmd-epfl/reaction-representation: First release
Corminboeuf. Associated publication:
10.1039/D1SC00482D
.
Dataset
raw data for the article "Direct Photoexcitation of EthynylBenziodoXolones: An Alternative to Photocatalysis for Alkynylation Reactions"
Waser. Associated publication:
10.1002/anie.202110257
.
Dataset
2020
Atomic-scale engineering of indium oxide promotion by palladium for methanol production via CO2 hydrogenation
Dataset
CO2-free conversion of CH4 to syngas using chemical looping
Müller. Associated publication:
10.1016/j.apcatb.2020.119328
.
Dataset
Cobalt(III)-Catalyzed Enantioselective Intermolecular Carboamination by C−H Functionalization
Cramer. Associated publication:
10.1002/anie.202011140
.
Dataset
Combined Partial Oxidation of Methane to Synthesis Gas and Production of Hydrogen or Carbon Monoxide in a Fluidized Bed using Lattice Oxygen
Müller. Associated publication:
10.1002/ente.201900655
.
Dataset
Experimental data supported techno-economic assessment of the oxidative dehydrogenation of ethane through chemical looping with oxygen uncoupling
Müller. Associated publication:
10.1016/j.rser.2021.111403
.
Dataset
Fe_CO_nuclearity
Pérez-Ramírez. Associated publication:
10.1002/cctc.202100235
.
Dataset
N-arylation_Fe_Cu-GCN
Carreira, Jeschke, Pérez-Ramírez. Associated publication:
10.1021/acscatal.0c03164
.
Dataset
https://rxn4chemistry.github.io/rxn_yields/
Laino. Associated publication:
10.1088/2632-2153/abc81d
.
Software
https://rxn4chemistry.github.io/rxnfp
Laino. Associated publication:
10.1038/s42256-020-00284-w
.
Software
Surface Intermediates in In-Based ZrO
2
-Supported Catalysts for Hydrogenation of CO
2
to Methanol
Müller.
Dataset