Complete dataset for publication: Metal-ligand cooperative activation of HX (X=H, Br, OR) bond on Mn based pincer complexes
doi: 10.4121/14571984.v1
The doi above is for this specific version of this dataset, which is currently the latest. Newer versions may be published in the future.
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doi: 10.4121/14571984
doi: 10.4121/14571984
Datacite citation style:
Pidko, Evgeny; Krieger, Annika; Kalikadien, Adarsh (2021): Complete dataset for publication: Metal-ligand cooperative activation of HX (X=H, Br, OR) bond on Mn based pincer complexes. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/14571984.v1
Other citation styles (APA, Harvard, MLA, Vancouver, Chicago, IEEE) available at Datacite
Dataset
Complete dataset for the publication "Metal-ligand
cooperative activation of HX (X=H, Br, OR) bond on Mn based pincer complexes " by Annika
M. Krieger, Vivek Sinha, Adarsh V. Kalikadien,
Evgeny A. Pidko in ZAAC (Zeitschrift
für anorganische und allgemeine Chemie)
- data for all figures / tables in the main text
- data for all figures / tables of the supporting information
- xyz coordinates of all DFT- and xTB-optimized structures of Mn pincer complexes
history
- 2021-05-12 first online, published, posted
publisher
4TU.ResearchData
associated peer-reviewed publication
Metal-ligand cooperative activation of HX (X=H, Br, OR) bond on Mn based pincer complexes
funding
- Death and Life of Catalysts: a Theory-Guided Unified Approach for Non-Critical Metal Catalyst Development (grant code 725686) [more info...] European Research Council
- Netherlands Organization for Scientific Research (NWO)
organizations
TU Delft, Faculty of Applied Sciences, Department of Chemical Engineering
DATA
files
- 5,771 bytes md5 FiguresMainText.csv
- 32,127 bytes md5 FiguresSI.csv
- 2,491,192 bytes md5 xyz_files.zip
- download all files (zip)