Mechanistic aspects of the solid-state transformation of ammonium cyanate to urea at high pressure

Journal of Physical Chemistry B

Volumn 111, Issue 15, 2007, Pages 3960-3968

  Méreau, Raphael ^a   Desmedt, Arnaud ^a   Harris, Kenneth D M ^b  

^a INSTITUT DES SCIENCES MOLÉCULAIRES   (France)

^b CARDIFF UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HIGH PRESSURE EFFECTS; POLYMORPHISM; POSITIVE IONS;

AMMONIUM CYANATE; NEIGHBORING CYANATE ANIONS; SELF CONSISTENT CHARGES DENSITY FUNCTIONAL TIGHT BINDING METHOD (SCC-DFTB);

AMMONIUM COMPOUNDS;

EID: 34247874471     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp070291z     Document Type: Article

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