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Structures and stabilities of alkaline earth metal peroxides XO2 (X = Ca, Be, Mg) studied by a genetic algorithm

TitleStructures and stabilities of alkaline earth metal peroxides XO2 (X = Ca, Be, Mg) studied by a genetic algorithm
Publication TypeJournal Article
Year of Publication2013
AuthorsZhao, X, Nguyen, MC, Wang, CZ, Ho, KM
JournalRsc Advances
Volume3
Pagination22135-22139
Date Published11/28
Type of ArticleArticle
ISBN Number2046-2069
Accession NumberWOS:000326056600140
Keywordsab-initio data, augmented-wave method, basis-set, effective potentials, total-energy calculations
Abstract

MgO + 1/2O(2).

DOI10.1039/c3ra43617a
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Exploratory Theory