Modelling pair distribution functions (PDFs) of organic compounds: Describing both intra- and intermolecular correlation functions in calculated PDFs

Journal of Applied Crystallography

Volumn 48, Issue 1, 2015, Pages 171-178

  Prill, Dragica ^a   Juhás, Pavol ^b   Schmidt, Martin U ^a   Billinge, Simon J L ^b,c  

^a GOETHE UNIVERSITY   (Germany)

^b BROOKHAVEN NATIONAL LABORATORY   (United States)

^c Department of Applied Physics and Applied Mathematics Columbia University ^*  (United States)

Author keywords

intramolecular and intermolecular correlation functions; Pair distribution function

Indexed keywords

ATOMS; MOLECULAR STRUCTURE; NAPHTHALENE;

ATOMIC PAIR DISTRIBUTION FUNCTIONS; INTERMOLECULAR CORRELATIONS; INTERMOLECULAR DISTANCE; ISOTROPIC DISPLACEMENT; MOLECULAR SYSTEMS; ORGANIC MATERIALS; PAIR DISTRIBUTION FUNCTIONS; STRUCTURAL MODELS;

DISTRIBUTION FUNCTIONS;

EID: 84922322988     PISSN: 00218898     EISSN: 16005767     Source Type: Journal    
DOI: 10.1107/S1600576714026454     Document Type: Article

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