Structural and dynamical properties of solid ammonia borane under high pressure

Journal of Chemical Physics

Volumn 134, Issue 2, 2011, Pages

  Wang, Liancheng ^a   Bao, Kuo ^a   Meng, Xing ^a   Wang, Xiaoli ^a   Jiang, Tingting ^a   Cui, Tian ^a   Liu, Bingbing ^a   Zou, Guangtian ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA BORANE; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIHYDROGEN BONDS; DYNAMICAL PROPERTIES; HIGH PRESSURE; HIGH-PRESSURE PHASIS; LOW TEMPERATURES; MOLECULAR DYNAMICS SIMULATIONS; NEW HIGH; ORDERED STRUCTURES; ROOM TEMPERATURE; ROTATIONAL ENERGY BARRIERS;

AMMONIA; HYDROGEN BONDS; MOLECULAR DYNAMICS; X RAY DIFFRACTION;

DENSITY FUNCTIONAL THEORY;

AMMONIA; BORANE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS; PRESSURE; QUANTUM THEORY; TEMPERATURE;

AMMONIA; BORANES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; PRESSURE; QUANTUM THEORY; TEMPERATURE;

EID: 78751511845     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3528724     Document Type: Article

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