Datasets
- 22 results
Search results
-
Data Underlying the Publication: Homogeneous Catalysis in Plastic Waste Upcycling: A DFT Study on the Role of Imperfections in Polymer Chains
Kolganov, A. A. (Creator), Avadakkam, S. A. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 29 Sept 2023
DOI: 10.4121/26AF8FFB-1AEB-4D33-8005-B7D888C5A8F5, https://doi.org/10.1021/acscatal.3c03269.
Dataset/Software: Dataset
-
Dataset for Basic Promotors Impact Thermodynamics and Catalyst Speciation in Homogeneous Carbonyl Hydrogenation
Yang, W. (Creator), Kalavalapalli, T. Y. (Creator), Krieger, A. M. (Creator), Khvorost, T. A. (Creator), Chernyshov, I. Y. (Creator), Weber, M. (Creator), Uslamin, E. (Creator), Pidko, E. A. (Creator) & Filonenko, G. A. (Creator), TU Delft - 4TU.ResearchData, 29 Apr 2022
DOI: 10.4121/19323839
Dataset/Software: Dataset
-
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"
Kolganov, A. (Creator), Gabrienko, A. A. (Creator), Chernyshov, I. Y. (Creator), Stepanov, A. G. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 8 Apr 2022
DOI: 10.4121/19524244
Dataset/Software: Dataset
-
Data underlying the publication: Solvent-mediated outer-sphere CO2 electro-reduction mechanism over Ag111 surface
Sinha, V. (Creator), Khramenkova, E. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 3 Mar 2022
DOI: 10.4121/19142303
Dataset/Software: Dataset
-
Data underlying the publication: High Stability of Methanol to Aromatic Conversion over Bimetallic Ca,Ga-Modified ZSM-5
Liu, C. (Creator), Uslamin, E. (Creator), Khramenkova, E. (Creator), Sireci, E. (Creator), Ouwehand, T. L. J. (Creator), Ganapathy, S. (Creator), Kapteijn, F. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 29 Mar 2022
DOI: 10.4121/19406789
Dataset/Software: Dataset
-
Intermolecular contacts for 224 001 molecular crystals from Cambridge Structural Database
Ananyev, I. (Creator), Chernyshov, I. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 8 Jan 2020
DOI: 10.4121/UUID:33C65813-E9EF-41F1-910C-660D18ECF097
Dataset/Software: Dataset
-
Supplementary data for the paper: Impact of small promoter amounts on coke structure in dry reforming of methane over Ni/ ZrO2
Franz, R. (Creator), Kühlewind, T. (Creator), Shterk, G. (Creator), Abou-Hamad, E. (Creator), Parastaev, A. (Creator), Uslamin, E. (Creator), Kapteijn, F. (Creator), Gascon, J. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 10 Dec 2020
https://www-rsc-org.tudelft.idm.oclc.org/suppdata/d0/cy/d0cy00817f/d0cy00817f1.pdf
Dataset/Software: Dataset
-
Data underlying the publication: Global optimization of extraframework ensembles in zeolites: on the structure of extra-framework aluminum species in MOR and MFI zeolites.
Khramenkova, E. (Creator), Venkatraman, H. (Creator), Soethout, V. E. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 27 Oct 2022
DOI: 10.4121/21400845, https://doi.org/10.1039/D2CP03603G
Dataset/Software: Dataset
-
Complete dataset for the publication "Composition- and Condition-Dependent Kinetics of Homogeneous Ester Hydrogenation by Mn-based Catalyst"
Krieger, A. M. (Creator), Kuliaev, P. (Creator), Armstrong Hall, F. Q. (Creator), Sun, D. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 26 Nov 2020
DOI: 10.4121/13214171
Dataset/Software: Dataset
-
Dataset for Switching Between Hydrogenation and Olefin Transposition Catalysis via Silencing NH Cooperativity in Mn(I) pincer complexes
Yang, W. (Creator), Chernyshov, I. (Creator), Weber, M. (Creator), Pidko, E. A. (Creator) & Filonenko, G. A. (Creator), TU Delft - 4TU.ResearchData, 23 Aug 2022
DOI: 10.4121/19704391
Dataset/Software: Dataset
-
Complete dataset for publication: Robust and Efficient Hydrogenation of Carbonyl Compounds Catalysed by Mixed Donor Mn(I) Pincer Complexes
Yang, W. (Creator), Chernyshov, I. Y. (Creator), van Schendel, R. K. A. (Creator), Weber, M. (Creator), Müller, C. (Creator), Filonenko, G. A. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 12 May 2021
DOI: 10.4121/13160423
Dataset/Software: Dataset
-
Complete dataset for publication: Metal-ligand cooperative activation of HX (X=H, Br, OR) bond on Mn based pincer complexes
Krieger, A. M. (Creator), Sinha, V. (Creator), Kalikadien, A. V. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 12 May 2021
DOI: 10.4121/14571984
Dataset/Software: Dataset
-
Data underlying the publication: ChemSpaX: Exploration of Chemical Space by Automated Functionalization of Molecular Scaffold
Kalikadien, A. V. (Creator), Pidko, E. A. (Creator) & Sinha, V. (Creator), TU Delft - 4TU.ResearchData, 14 Jun 2021
DOI: 10.4121/14766345
Dataset/Software: Dataset
-
Data for "Impact of Promoter Addition on the Regeneration of Ni/Al2O3 Dry Reforming Catalysts"
Franz, R. P. M. (Creator), Pinto, D. (Creator), Uslamin, E. (Creator), Urakawa, A. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 6 Jan 2022
DOI: 10.4121/17707172
Dataset/Software: Dataset
-
Raw data for "Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation"
Tossaint, A. S. (Creator), Rebreyend, C. (Creator), Sinha, V. (Creator), Weber, M. (Creator), Canossa, S. (Creator), Pidko, E. A. (Creator) & Filonenko, G. A. (Creator), TU Delft - 4TU.ResearchData, 22 Mar 2022
DOI: 10.4121/19190237
Dataset/Software: Dataset
-
Data underlying the research on CO2 electrocatalysis on Ag surfaces
Pidko, E. A. (Creator), Li, G. (Creator), Bohra, D. (Creator) & Smith, W. A. (Creator), TU Delft - 4TU.ResearchData, 14 Aug 2020
DOI: 10.4121/12789893
Dataset/Software: Dataset
-
Data underlying the publication: Unraveling the Nature of Extraframework Catalytic Ensembles in Zeolites: Flexibility and Dynamics of the Copper-Oxo Trimers in Mordenite
Khramenkova, E. (Creator), Medvedev, M. G. (Creator), Li, G. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 27 Oct 2022
DOI: 10.4121/21407700
Dataset/Software: Dataset
-
Raw data for paper "Manganese-mediated C-C bond formation: alkoxycarbonylation of organoboranes"
van Putten, R. (Creator), Filonenko, G. A. (Creator), Krieger, A. M. (Creator), Lutz, M. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 24 Feb 2021
DOI: 10.4121/14101928
Dataset/Software: Dataset
-
Complete dataset for the publication: The accuracy challenge of DFT-based molecular assignment of 13C MAS NMR characterization of surface intermediates in zeolite catalysis
Kolganov, A. A. (Creator), Gabrienko, A. A. (Creator), Chernyshov, I. Y. (Creator), Stepanov, A. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 1 Oct 2020
DOI: 10.4121/13026671
Dataset/Software: Dataset
-
Data underlying the research on: Direct discerning reaction pathways in methanol-to-hydrocarbons by transient operation - FASPA
Liu, C. (Creator), Uslamin, E. (Creator), Pidko, E. A. (Creator) & Kapteijn, F. (Creator), TU Delft - 4TU.ResearchData, 12 Oct 2022
DOI: 10.4121/21316656
Dataset/Software: Dataset
-
Data underlying the research on: An integrated approach to the key parameters in methanol-to-olefins reaction catalyzed by MFI/MEL zeolite materials
Liu, C. (Creator), Uslamin, E. (Creator), van Vreeswijk, S. (Creator), Yarulina, I. (Creator), Ganapathy, S. (Creator), Weckhuysen, B. (Creator), Kapteijn, F. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 28 Mar 2022
DOI: 10.4121/19411673, https://doi.org/10.1016/S1872‐2067(21)63990‐6
Dataset/Software: Dataset
-
Dataset for "Selective Dimerization of Ethene to 2-Butene on Zn²⁺-Modified ZSM-5 Zeolite"
Lashchinskaya, Z. N. (Creator), Gabrienko, A. A. (Creator), Kolganov, A. A. (Creator), Pidko, E. A. (Creator) & Stepanov, A. G. (Creator), TU Delft - 4TU.ResearchData, 13 Apr 2022
DOI: 10.4121/19524619
Dataset/Software: Dataset