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Density functional theory and interatomic potential study of structural, mechanical and surface properties of calcium oxalate materials

Di Tommaso, D; Hernandez, SER; Du, Z; de Leeuw, NH; (2012) Density functional theory and interatomic potential study of structural, mechanical and surface properties of calcium oxalate materials. RSC ADVANCES , 2 (11) 4664 - 4674. 10.1039/c2ra00832g.

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Type: Article
Title: Density functional theory and interatomic potential study of structural, mechanical and surface properties of calcium oxalate materials
DOI: 10.1039/c2ra00832g
UCL classification: UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry
URI: http://discovery.ucl.ac.uk/id/eprint/1360329
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