An ab Initio Study of Observed and Hypothetical Polymorphs of Glycine

To investigate the merits of crystal structure prediction using ab initio computational techniques, we have used density functional (DFT) methods to investigate the relative stabilities of the four known crystalline phases of glycine and also a range of alternative putative crystal structures of the...

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Veröffentlicht in:	Crystal growth & design 2005-07, Vol.5 (4), p.1437-1442
Hauptverfasser:	Chisholm, James A, Motherwell, Sam, Tulip, Paul R, Parsons, Simon, Clark, Stewart J
Format:	Artikel
Sprache:	eng
Schlagworte:	Cross-disciplinary physics: materials science rheology Exact sciences and technology Materials science Methods of crystal growth physics of crystal growth Physics
Online-Zugang:	Volltext
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