B3LYP calculations on the thermodynamic properties of a series of nitroxycubanes having the formula C8H8-x(NO3)x (x = 1-8)

Journal of Hazardous Materials

Volumn 164, Issue 2-3, 2009, Pages 1595-1600

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

^a CLEVELAND STATE UNIVERSITY   (United States)

Author keywords

B3LYP; High energy materials; Nitroxycubanes

Indexed keywords

B3LYP; B3LYP CALCULATIONS; ENTHALPIES OF FORMATIONS; HIGH DENSITIES; HIGH ENERGIES; HIGH NITROGEN CONTENTS; HIGH-ENERGY MATERIALS; HYDROGEN ATOMS; NITRATE GROUPS; NITROCUBANES; NITROSO; NITROXYCUBANES; OPTIMIZED GEOMETRIES; SPECIFIC ENTHALPIES; VIBRATIONAL FREQUENCIES;

ENTHALPY; HYDROGEN; MATERIALS; NITROGEN COMPOUNDS;

HIGH ENERGY PHYSICS;

ENERGY BUDGET; NITRATE; THERMODYNAMIC PROPERTY;

BRIDGED COMPOUNDS; EXPLOSIVE AGENTS; MOLECULAR STRUCTURE; NITRATES; THERMODYNAMICS; VIBRATION;

EID: 62649088436     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2008.09.078     Document Type: Article

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