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

Matthew D. King; Thomas N. Blanton; Timothy M. Korter

doi:10.1039/C1CP22831E

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

Matthew D. King,^a Thomas N. Blanton^b and Timothy M. Korter*^a

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^a Department of Chemistry, Syracuse University, 1-014 Center for Science & Technology, 111 College Place, Syracuse, USA
E-mail: tmkorter@syr.edu
Fax: 315-443-0296
Tel: 315-443-4070

^b Eastman Kodak Company, Research and Development Laboratories, 66 Eastman Avenue, Rochester, USA

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.

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DOI: https://doi.org/10.1039/C1CP22831E
Article type: Communication
Submitted: 06 Sep 2011
Accepted: 17 Nov 2011
First published: 05 Dec 2011

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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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Physical Chemistry Chemical Physics

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

Abstract

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

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