A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data

Jacco van de Streek, Edith Alig, Simon Parsons, Liana Vella-Zarb

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

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@article{a6c1b0a00af746b28d9a2cdfd8129324,

title = "A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data",

keywords = "jumping crystals, molecular dynamics, phase transitions, TLS refinement, XRPD",

author = "{van de Streek}, Jacco and Edith Alig and Simon Parsons and Liana Vella-Zarb",

year = "2019",

doi = "10.1107/S205225251801686X",

language = "English",

volume = "6",

pages = "136--144",

journal = "IUCrJ",

issn = "2052-2525",

publisher = "International Union of Crystallography",

}

TY - JOUR

T1 - A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data

AU - van de Streek, Jacco

AU - Alig, Edith

AU - Parsons, Simon

AU - Vella-Zarb, Liana

PY - 2019

Y1 - 2019

KW - jumping crystals

KW - molecular dynamics

KW - phase transitions

KW - TLS refinement

KW - XRPD

U2 - 10.1107/S205225251801686X

DO - 10.1107/S205225251801686X

M3 - Journal article

C2 - 30713711

SN - 2052-2525

VL - 6

SP - 136

EP - 144

JO - IUCrJ

JF - IUCrJ

ER -