Ammonium cyanate: A DFT study of crystal structure, rotational barriers and vibrational spectrum

Molecular Physics

Volumn 102, Issue 9-10, 2004, Pages 869-876

  Alavi, Ali ^a   Brown, R Julian C ^b   Habershon, Scott ^c   Harris, Kenneth D M ^c   Johnston, Roy L ^c  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b QUEEN S UNIVERSITY   (Canada)

^c UNIVERSITY OF BIRMINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIUM CYANATE; CRYSTAL STRUCTURES; ROTATIONAL BARRIERS; VIBRATIONAL BARRIERS;

AMMONIUM COMPOUNDS; ELECTRONIC STRUCTURE; HYDROGEN BONDS; MOLECULAR VIBRATIONS; NEUTRON DIFFRACTION; THERMAL EFFECTS; THERMAL EXPANSION; VACUUM; X RAY DIFFRACTION;

CRYSTAL STRUCTURE;

EID: 4444356983     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970410001695679     Document Type: Article

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