Comparative DFT study of crystalline ammonium perchlorate and ammonium dinitramide

Journal of Physical Chemistry A

Volumn 112, Issue 20, 2008, Pages 4688-4693

  Weihua, Zhu ^a   Tao, Wei ^a   Wei, Zhu ^a   Heming, Xiao ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; CHEMICAL REACTIONS; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; ELECTROMAGNETIC WAVE ABSORPTION; ELECTRONIC STRUCTURE; ENERGY ABSORPTION; LIGHT ABSORPTION; LOCAL DENSITY APPROXIMATION; PROBABILITY DENSITY FUNCTION; SPACECRAFT PROPULSION; SPECTRUM ANALYSIS; THERMODYNAMIC PROPERTIES; THERMODYNAMICS;

ABSORPTION REGIONS; AMMONIUM DINITRAMIDE; AMMONIUM PERCHLORATE; DENSITY-FUNCTIONAL; DFT STUDY; HIGH-FREQUENCY REGION; LOCAL-DENSITY; LOW FREQUENCIES; VIBRATIONAL FREQUENCIES; VIBRATIONAL PROPERTIES;

AMMONIUM COMPOUNDS;

EID: 53349166825     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp800693e     Document Type: Article

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