A new polymorph of N,N′-dimethylurea characterized by X-ray diffraction and first-principles lattice dynamics calculations

Journal of Physical Chemistry A

Volumn 113, Issue 20, 2009, Pages 5998-6003

  Martins, David M S ^a   Spanswick, Christopher K ^a   Middlemiss, Derek S ^b   Abbas, Nasir ^a   Pulham, Colin R ^a   Morrison, Carole A ^a  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b UNIVERSITY OF GLASGOW   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BAND GAP WIDTH; COMPUTATIONAL STUDIES; DIMETHYLUREA; ELECTRONIC DENSITY; EXPERIMENTAL DATA; FIRST-PRINCIPLES; FREE-ENERGY DIFFERENCE; LATTICE DYNAMICS; MOLECULAR CHAINS; OPTICAL MODES; RELATIVE ORIENTATION; SPACE GROUPS; SPACE-GROUP SYMMETRY; TEMPERATURE RANGE; THEORETICAL STUDY; X-RAY DIFFRACTION STUDIES;

DIFFRACTION; DYNAMICS; ELECTRON MOBILITY; HYDROGEN; LATTICE VIBRATIONS; MOLECULAR ORIENTATION; MOLECULAR SPECTROSCOPY; POLYMORPHISM; SINGLE CRYSTALS; SOLIDS; X RAY DIFFRACTION;

CRYSTAL ORIENTATION;

EID: 66149187119     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp900141q     Document Type: Article

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