Rietveld refinement to determine molecular conformation using modified chemical constraints

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

doi:10.1007/BF03156592

Rietveld refinement to determine molecular conformation using modified chemical constraints

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

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

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 language	English
Pages (from-to)	301-304
Number of pages	4
Journal	Acta Physica Hungarica
Volume	75
Issue number	1-4
DOIs	https://doi.org/10.1007/BF03156592
State	Published - Dec 1994
Externally published	Yes

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title = "Rietveld refinement to determine molecular conformation using modified chemical constraints",

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.",

author = "Gy T{\"o}r{\"o}k and Golosovsky, {L. V.} and Ibberson, {R. M.} and L. Rosta",

year = "1994",

month = dec,

doi = "10.1007/BF03156592",

language = "English",

volume = "75",

pages = "301--304",

journal = "Acta Physica Hungarica",

issn = "0231-4428",

number = "1-4",

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AU - Török, Gy

AU - Golosovsky, L. V.

AU - Ibberson, R. M.

AU - Rosta, L.

PY - 1994/12

Y1 - 1994/12

N2 - 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.

AB - 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.

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U2 - 10.1007/BF03156592

DO - 10.1007/BF03156592

M3 - Article

AN - SCOPUS:77951515056

SN - 0231-4428

VL - 75

SP - 301

EP - 304

JO - Acta Physica Hungarica

JF - Acta Physica Hungarica

IS - 1-4

ER -

Rietveld refinement to determine molecular conformation using modified chemical constraints

Abstract

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