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

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

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

Research output: Contribution to journal › Article › peer-review

33 Scopus citations

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. This journal is

Original language	English (US)
Pages (from-to)	1113-1116
Number of pages	4
Journal	Physical Chemistry Chemical Physics
Volume	14
Issue number	3
DOIs	https://doi.org/10.1039/c1cp22831e
State	Published - Jan 21 2012

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "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. This journal is",

author = "King, {Matthew D.} and Blanton, {Thomas N.} and Korter, {Timothy M.}",

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

Abstract

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