Rietveld refinement to determine molecular conformation using modified chemical constraints

Gy Török, L. V. Golosovsky, R. M. Ibberson, L. Rosta

Research output: Contribution to journalArticle

Abstract

A novel combination of molecular modelling and full profile refinement with chemical constraints has been used to detemine the low-temperature crsytalline C5 phase structure of MBBA.

Original languageEnglish
Pages (from-to)301-304
Number of pages4
JournalActa Physica Hungarica
Volume75
Issue number1-4
DOIs
Publication statusPublished - Dec 1 1994

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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