Datasets
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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
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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
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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