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Merging of E2 and E1cb Reaction Mechanisms: A Combined Theoretical and Experimental Study

✍ Scribed by Edoardo Mosconi; Filippo De Angelis; Leonardo Belpassi; Francesco Tarantelli; Sergio Alunni


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
631 KB
Volume
2009
Category
Article
ISSN
1434-193X

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The thermal decomposition of three ni- (TNMA,3), were studied experimentally, and the reaction energies were calculated quantum-chemically [B3LYP/6-31G(d)//PM3/ ]. The compound that was most promising as a potential high energy density material (HEDM) was found to be 1,3-5-(NO 2 ) 3 -2,4,6-(N 3 ) 3