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 journalArticlepeer-review

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

ASJC Scopus subject areas

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

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