Based on the principles of conservation of energy and momentum, a mathematical formula
has been derived for the squares of detonation velocities of a large set of explosives. The …

A theoretical model is developed within the Hückel molecular orbital theory for the structure-
impact sensitivity relation of some explosive compounds. The model considers some …

Certain set of benzenoid nitro compounds are considered for DFT calculations at the level of
B3LYP/6-31G (d). The output data are statistically analyzed in order to get some correlations …

Detonation velocity is an important characteristics of explosive compounds. Presently, to get
some insight about the detonation velocity, a novel trigonometric model has been suggested …

A linear multivariable model has been derived for the estimation of detonation velocity.
Then, its two simplified forms, first-order linear models, have been proposed as estimators of …

The present study concentrates on the isomerization process of 4, 6-dinitrobenzofuroxan
and the monoionic forms of its bicyclic isomers. The ionic forms shed some light on the …

An important characteristic of explosive compounds is the detonation velocity. Presently, to
get some insight about the detonation velocity, an elliptic model has been suggested in 2 …

Explosive is an energetic material, which may be initiated by friction, impact, shock, spark,
flame, heating, or any simple submission of an energy pulse, that either is chemically or else …

Diamino-dinitropyrimidines and their mono-and dioxidized products were subjected to
theoretical analysis at the level of density functional theory with the application of the …

Based on a chemical model, the activated complex theory of chemical kinetics and a
quantum chemical approach (DFT, UB3LYP/6-31G (d)), a novel method has been …