DFT calculations on nitrodiborane compounds as new potential high energy materials

Journal of Molecular Modeling

Volumn 16, Issue 5, 2010, Pages 915-918

  Abdelmalik, John ^a   Ball, David W ^a  

^a CLEVELAND STATE UNIVERSITY   (United States)

Author keywords

DFT calculation; High energy material; Nitrodiborane

Indexed keywords

BORANE DERIVATIVE; DINITRODIBORANE; GLYCERYL TRINITRATE; NITRO DERIVATIVE; NITRODIBORANE; TETRANITRODIBORANE; TRINITRODIBORANE; UNCLASSIFIED DRUG; CARBON DIOXIDE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; COMBUSTION; DENSITY FUNCTIONAL THEORY; ENERGY RESOURCE; ENTHALPY; HIGH ENERGY MATERIAL; ISOMER; PRIORITY JOURNAL; CHEMISTRY; ISOMERISM; MATERIALS; PHYSICAL PHENOMENA; THERMODYNAMICS;

CARBON DIOXIDE; ISOMERISM; MANUFACTURED MATERIALS; PHYSICAL PROCESSES; THERMODYNAMICS;

EID: 77953931527     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0597-8     Document Type: Article

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