Issue 3, 2012

Revealing the true crystal structure of l-phenylalanine using solid-state density functional theory

Abstract

Solid-state density functional theory can be used for crystal structure determination from powder X-ray diffraction data of molecular crystals that are too large and complex for conventional refinement methods.

Graphical abstract: Revealing the true crystal structure of l-phenylalanine using solid-state density functional theory

Supplementary files

Article information

Article type
Communication
Submitted
06 Sep 2011
Accepted
17 Nov 2011
First published
05 Dec 2011

Phys. Chem. Chem. Phys., 2012,14, 1113-1116

Revealing the true crystal structure of L-phenylalanine using solid-state density functional theory

M. D. King, T. N. Blanton and T. M. Korter, Phys. Chem. Chem. Phys., 2012, 14, 1113 DOI: 10.1039/C1CP22831E

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