scholarly journals Decomposition mechanisms of trinitroalkyl compounds: a theoretical study from aliphatic to aromatic nitro compounds

2014 ◽  
Vol 16 (14) ◽  
pp. 6614-6622 ◽  
Author(s):  
Guillaume Fayet ◽  
Patricia Rotureau ◽  
Benoit Minisini
Keyword(s):  
Theoretical Study ◽  
Nitro Compounds ◽  
Aromatic Nitro Compounds ◽  
Decomposition Mechanisms ◽  
Aromatic Nitro

Comment on “Decomposition mechanisms of trinitroalkyl compounds: a theoretical study from aliphatic to aromatic nitro compounds” by G. Fayet, P. Rotureau, B. Minisini, Phys. Chem. Chem. Phys., 2014, 16, 6614

2015 ◽  
Vol 17 (15) ◽  
pp. 10283-10284 ◽  
Author(s):  
Vitaly G. Kiselev
Keyword(s):  
Theoretical Study ◽  
Branching Ratios ◽  
Chem Phys ◽  
Nitro Compounds ◽  
Aromatic Nitro Compounds ◽  
Radical Decomposition ◽  
Entropy Of Activation ◽  
Enthalpy And Entropy ◽  
Aromatic Nitro ◽  
Phys Chem Chem Phys

The approach proposed in the original paper yields spurious contributions to both enthalpy and entropy of activation of barrierless reactions. This renders reaction branching ratios intrinsically biased towards radical decomposition of nitro species.

Quantitative Estimation of Aromatic Nitro Compounds

1954 ◽  
Vol 26 (7) ◽  
pp. 1238-1240 ◽  
Author(s):  
Enno. Wolthuis ◽  
Stephen. Kolk ◽  
Luke. Schaap
Keyword(s):  
Quantitative Estimation ◽  
Nitro Compounds ◽  
Aromatic Nitro Compounds ◽  
Aromatic Nitro
Sign in / Sign up

Export Citation Format

Share Document