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Volumn 183, Issue 3, 2012, Pages 690-697
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Identifying duplicate crystal structures: XtalComp, an open-source solution
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Author keywords
Computational crystallography; Crystal; Crystalline; Duplicate; Matching; Similarity; Structure
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Indexed keywords
CANONICAL COORDINATES;
DUPLICATE;
MATCHING;
NUMERICAL NOISE;
OPEN-SOURCE LIBRARIES;
OPEN-SOURCE SOLUTIONS;
PERIODIC BOUNDARIES;
SIMILARITY;
UNIT CELLS;
WEB INTERFACE;
ALGORITHMS;
CRYSTALLINE MATERIALS;
CRYSTALLOGRAPHY;
CRYSTALS;
STRUCTURE (COMPOSITION);
CRYSTAL STRUCTURE;
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EID: 84855428933
PISSN: 00104655
EISSN: None
Source Type: Journal
DOI: 10.1016/j.cpc.2011.11.007 Document Type: Article |
Times cited : (90)
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References (26)
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