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

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

Research output: Contribution to journalArticle

23 Citations (Scopus)

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 languageEnglish (US)
Pages (from-to)1113-1116
Number of pages4
JournalPhysical Chemistry Chemical Physics
Volume14
Issue number3
DOIs
StatePublished - Jan 21 2012

Fingerprint

Molecular crystals
phenylalanine
Phenylalanine
X ray powder diffraction
Density functional theory
Crystal structure
density functional theory
solid state
crystal structure
diffraction
crystals
x rays

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Physics and Astronomy(all)

Cite this

Revealing the true crystal structure of L-phenylalanine using solid-state density functional theory. / King, Matthew D.; Blanton, Thomas N.; Korter, Timothy Michael.

In: Physical Chemistry Chemical Physics, Vol. 14, No. 3, 21.01.2012, p. 1113-1116.

Research output: Contribution to journalArticle

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