Published on 21 August 2020
Energetically accessible structures of xMgCl2/yTiCl4 clusters (x = 6–19, y = 0–4)
View DatasetTakasao, Gentoku
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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Publication Details
Subfield
Computer Vision and Pattern Recognition
Field
Computer Science
Domain
Physical Sciences
Confidence Score
45%
Source
Scholar Data Model
Keywords
CatalysisComputational Chemistry