Density functional study of the decomposition pathways of nitroethane and 2-nitropropane

Physical Chemistry Chemical Physics

Volumn 5, Issue 9, 2003, Pages 1730-1738

  Denis, Pablo A ^a,b   Ventura, Oscar N ^b   Le, Hung Thanh ^a   Nguyen, Minh Tho ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b UDELAR   (Uruguay)

Author keywords

[No Author keywords available]

Indexed keywords

2 NITROPROPANE; ETHANE; NITRO DERIVATIVE; NITROALKANE; NITROMETHANE;

ACCURACY; ARTICLE; CALCULATION; CALORIE; CHEMICAL REACTION; DECOMPOSITION; DENSITY; ENERGY; ENTHALPY; INFORMATION; MOLECULAR MODEL; MOLECULE; PREDICTION; QUANTUM CHEMISTRY; TECHNIQUE;

EID: 0038030930     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b300275f     Document Type: Article

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