ChemE/Inorganic Systems Engineering

Search results

• Data Underlying the Publication: Plasmon‐Mediated Organic Photoelectrochemistry Applied to Amination Reactions

  Kolganov, A. A. (Creator), TU Delft - 4TU.ResearchData, 10 Jul 2024

  DOI: 10.4121/fa02d4a9-6d14-459c-a2d2-3e91c29b4e0c

  Dataset/Software: Dataset

• 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

  Baidun, M. S. (Creator), Kalikadien, A. V. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 20 Feb 2024

  DOI: 10.4121/CE7FB6EE-A10C-44C8-91C0-1D55D55882E3

  Dataset/Software: Dataset

• 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

  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

• 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

• 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

• 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

• 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

  DOI: 10.4121/uuid:44f4246c-734f-45ce-9ced-c6ee4c614dd2

  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

• 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

• 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

• 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

• 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

• 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 publication: On the Oxidation State of Single-Atom Re/TiO2 Hydrogenation Catalysts: A Computational Study

  Avadakkam, S. A. (Creator), Kolganov, A. A. (Creator), Yeu, I. W. (Creator), Muhammad Helmi Risansyauqi, M. H. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 17 Sept 2024

  DOI: 10.4121/198a447c-78a0-4728-b05e-d2a89beaf1ff

  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

  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

• 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

  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 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

• 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 publication: Probing Machine Learning Models Based on High-Throughput Experimentation Data for the Discovery of Asymmetric Hydrogenation Catalysts

  Kalikadien, A. V. (Creator), Valsecchi, C. (Creator), van Putten, R. (Creator), Maes, T. (Creator), Muuronen, M. (Creator), Dyubankova, N. (Creator), Lefort, L. (Creator) & Pidko, E. A. (Creator), TU Delft - 4TU.ResearchData, 18 Jul 2024

  DOI: 10.4121/ecbd4b91-c434-4bdf-a0ed-4e9e0fb05e94

  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

• Data underlying the publication: Reaction network analysis of organochloride mediated oxidation induced by ionizing radiation

  Liu, J. (Creator), Xu, B. (Creator), Uslamin, E. (Creator), Eelkema, R. (Creator) & Denkova, A. G. (Creator), TU Delft - 4TU.ResearchData, 18 Oct 2024

  DOI: 10.4121/0053e714-71c8-413e-acfe-bc9b1844f272

  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