Density functional calculations on the thermodynamic properties of a series of nitrosocubanes having the formula C8H8-x(NO)x (x = 1 - 8)

Journal of Hazardous Materials

Volumn 164, Issue 2-3, 2009, Pages 1552-1555

  Richard, Ryan M ^a   Ball, David W ^a  

^a CLEVELAND STATE UNIVERSITY   (United States)

Author keywords

B3LYP; High energy materials; Nitrosocubanes

Indexed keywords

B3LYP; DENSITY-FUNCTIONAL CALCULATIONS; ENTHALPIES OF FORMATIONS; HIGH-ENERGY MATERIALS; HYDROGEN ATOMS; NEW HIGHS; NITROSO; NITROSOCUBANES; OPTIMIZED STRUCTURES; SPECIFIC ENTHALPIES; VELOCITY OF DETONATIONS; VIBRATIONAL FREQUENCIES;

COMBUSTION; ENTHALPY; HYDROGEN; MATERIALS; NITROGEN COMPOUNDS; THERMOCHEMISTRY; THERMODYNAMICS;

HIGH ENERGY PHYSICS;

CARBON; DENSITY; ENTHALPY; NITROGEN; OXYGEN; THERMODYNAMICS;

BRIDGED COMPOUNDS; ENERGY-GENERATING RESOURCES; EXPLOSIVE AGENTS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NITROSO COMPOUNDS; THERMODYNAMICS;

EID: 62649112128     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2008.08.057     Document Type: Article

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