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Totals for datasets (co-)authored by Evgeny Pidko
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Evgeny Pidko
Datasets
- Complete dataset for "Property-Activity Relations of Multifunctional Reactive Ensembles in Cation-Exchanged Zeolites: A Case Study of Methane Activation on Zn²⁺- Modified Zeolite BEA"
- Complete dataset for publication: Metal-ligand cooperative activation of HX (X=H, Br, OR) bond on Mn based pincer complexes
- Complete dataset for publication: Robust and Efficient Hydrogenation of Carbonyl Compounds Catalysed by Mixed Donor Mn(I) Pincer Complexes
- Complete dataset for the publication: The accuracy challenge of DFT-based molecular assignment of 13C MAS NMR characterization of surface intermediates in zeolite catalysis
- Complete dataset for the publication "Composition- and Condition-Dependent Kinetics of Homogeneous Ester Hydrogenation by Mn-based Catalyst"
- Complete dataset for the publication: MACE: Automated Assessment of Stereochemistry of Transition Metal Complexes and its Applications in Computational Catalysis
- Data for "Impact of Promoter Addition on the Regeneration of Ni/Al2O3 Dry Reforming Catalysts"
- Data underlying the research on CO2 electrocatalysis on Ag surfaces
- Data underlying the publication: ChemSpaX: Exploration of Chemical Space by Automated Functionalization of Molecular Scaffold
- Data underlying the publication: Unraveling the Nature of Extraframework Catalytic Ensembles in Zeolites: Flexibility and Dynamics of the Copper-Oxo Trimers in Mordenite
- Data underlying the publication: Solvent-mediated outer-sphere CO2 electro-reduction mechanism over Ag111 surface
- Data underlying the publication: Global optimization of extraframework ensembles in zeolites: on the structure of extra-framework aluminum species in MOR and MFI zeolites.
- Data underlying the publication: High Stability of Methanol to Aromatic Conversion over Bimetallic Ca,Ga-Modified ZSM-5
- Data underlying the research on: Direct discerning reaction pathways in methanol-to-hydrocarbons by transient operation - FASPA
- Data underlying the publication: Impact of Model Selection and Conformational Effects on the Descriptors for In Silico Screening Campaigns: a Case Study of Rh-Catalyzed Acrylate Hydrogenation
- Data underlying the publication: Probing Machine Learning Models Based on High-Throughput Experimentation Data for the Discovery of Asymmetric Hydrogenation Catalysts
- Data underlying the publication: On the Oxidation State of Single-Atom Re/TiO2 Hydrogenation Catalysts: A Computational Study
- Dataset for "Selective Dimerization of Ethene to 2-Butene on Zn²⁺-Modified ZSM-5 Zeolite"
- Intermolecular contacts for 224 001 molecular crystals from Cambridge Structural Database
- Raw data for paper "Manganese-mediated C-C bond formation: alkoxycarbonylation of organoboranes"
- Source, documentation, tests: MACE: Automated Assessment of Stereochemistry of Transition Metal Complexes and its Applications in Computational Catalysis
- Supplementary data for the paper: Impact of small promoter amounts on coke structure in dry reforming of methane over Ni/ ZrO2
