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Browsing by Subject ab initio calculations

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PreviewIssue DateTitleAuthor(s)
2010An ab initio molecular dynamics calculation of the density of the liquid metallic alloy Al-Si(12)at% as a function of temperatureDiaz-Celaya, JA; Valladares, AA; Valladares, RM
2010Aqueous solvation of As(OH)(3): A Monte Carlo study with flexible polarizable classical interaction potentialsVargas, MC; Ramirez-Solis, A; Ortega-Blake, I; Hernández-Cobos, J
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