Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
584876 | Journal of Hazardous Materials | 2007 | 5 Pages |
Abstract
A novel correlation is introduced for predicting impact sensitivity of a variety nitroheterocyclic molecular types, such as nitropyridines, nitroimidazoles, nitropyrazoles, nitrofurazanes, nitrotriazoles and nitropyrimidines. This approach is based on elemental composition and two structural parameters of CaHbNcOd nitroheterocyclic energetic compounds. The results for mentioned compounds are compared with complex neural networks computations which use compositional and topological descriptors. Root mean square (rms) of deviation of different nitroheterocyclic molecules including nitropyridines, nitroimidazoles, nitropyrazoles, nitrofurazanes, nitrotriazoles and nitropyrimidines are 58 and 71Â cm for new correlation and neural networks computations methods, respectively.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Health and Safety
Authors
Mohammad Hossein Keshavarz, Hamid Reza Pouretedal, Abolfazl Semnani,