The doi above is for this specific version of this dataset, which is currently the latest. Newer versions may be published in the future. For a link that will always point to the latest version, please use
doi: 10.4121/19524619

Zoya N. Lashchinskaya; Anton Gabrienko; Alexander Kolganov; Pidko, Evgeny; Alexander G. Stepanov (2022): Dataset for "Selective Dimerization of Ethene to 2-Butene on Zn²⁺-Modified ZSM-5 Zeolite". Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/19524619.v1

Dataset

• Physical Chemistry (incl. Structural)

2-butene, Computational Catalysis, DFT, Ethene dimerization, Zinc, Zn-modified zeolites

CC BY 4.0

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by Zoya N. Lashchinskaya , Anton Gabrienko , Alexander Kolganov , Evgeny Pidko , Alexander G. Stepanov

The archive contains optimized geometries (in .xyz format) of the structures used in the paper "Selective Dimerization of Ethene to 2-Butene on Zn²⁺-Modified ZSM-5 Zeolite" 

The names of the .xyz files follow those used in the paper.

• 2022-04-13 first online, published, posted

4TU.ResearchData

Cartesian coordinates of studied structures in .xyz format

Selective Dimerization of Ethene to 2-Butene on Zn2+-Modified ZSM-5 Zeolite

Boreskov Institute of Catalysis, Novosibirsk, Russia;
TU Delft, Faculty of Applied Sciences, Department of Chemical Engineering, Inorganic Systems Engineering