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Issue 3, 2012
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Revealing the true crystal structure of L-phenylalanine using solid-state density functional theory

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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

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Publication details

The article was received on 06 Sep 2011, accepted on 17 Nov 2011 and first published on 05 Dec 2011


Article type: Communication
DOI: 10.1039/C1CP22831E
Phys. Chem. Chem. Phys., 2012,14, 1113-1116

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    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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