Energetically accessible structures of xMgCl2/yTiCl4 clusters (x = 6–19, y = 0–4)

Published: 21 August 2020| Version 2 | DOI: 10.17632/c2cv8pg5d8.2
Contributor:
Gentoku Takasao

Description

Dataset of energetically accessible structures of xMgCl2/yTiCl4 clusters (x = 6–19, y = 0–4) obtained by non-empirical structure determination based on combination of the genetic algorithm and DFT calculations. The dataset was uploaded for a article "Dataset of energetically accessible structures of xMgCl2/yTiCl4 clusters (x = 6–19, y = 0–4) obtained by non-empirical structure determination based on combination of the genetic algorithm and DFT calculations" in Data in Brief.

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Catalysis, Computational Chemistry

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