Computationally assisted structure determination for molecular materials from X-ray powder diffraction data

Journal of Physical Chemistry B

Volumn 101, Issue 33, 1997, Pages 6532-6536

  Hammond, Robert B ^a   Roberts, Kevin J ^a,c   Docherty, Robert ^b   Edmondson, Michael ^b  

^a HERIOT WATT UNIVERSITY   (United Kingdom)

^b ASTRAZENECA   (United Kingdom)

^c DARESBURY LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; COMPUTATIONAL METHODS; CONFORMATIONS; CRYSTAL LATTICES; MOLECULAR DYNAMICS; X RAY POWDER DIFFRACTION;

ATOM ATOM INTERACTIONS;

MOLECULAR STRUCTURE;

EID: 0031211054     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971535q     Document Type: Article

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