Article ID Journal Published Year Pages File Type
5394859 Computational and Theoretical Chemistry 2012 6 Pages PDF
Abstract
► A new topological method is used to perform global optimization for MgO clusters. ► Some new low-energy structures are found. ► Growth patterns of MgO clusters are discussed.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Lowest-energy structures of (MgO)n (n = 2-7) clusters from a topological method and first-principles calculations
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