Density functional studies on the bond dissociation energy and pyrolysis mechanism of propyl nitrate

Gaoya Wuli Xuebao/Chinese Journal of High Pressure Physics

Volumn 19, Issue 2, 2005, Pages 189-192

  Zhang, Fang Pei ^a   Cheng, Xin Lu ^a   Liu, Zi Jiang ^a   Hu, Dong ^a   Liu, Yong Gang ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

Bond dissociation energy; DFT method; Heat of formation; Propyl nitrate; Pyrolysis mechanism

Indexed keywords

BAND STRUCTURE; CALCULATIONS; CHEMICAL REACTIONS; ENTHALPY; PYROLYSIS;

BOND DISSOCIATION ENERGY; DFT METHOD; HEAT OF FORMATION; PROPYL NITRATE; PYROLYSIS MECHANISM;

EXPLOSIVES;

EID: 22844451622     PISSN: 10005773     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (9)

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