Im. Krukovskii et al., QUALITATIVE ESTIMATION OF THE DEPENDENCE OF THE NUMBER OF ENERGETIC COMPOUNDS ON THEIR OXYGEN COEFFICIENT, Russian chemical bulletin, 47(7), 1998, pp. 1266-1273
The ratio between the numbers of structural formulas of C,H,N,O-contai
ning energetic compounds belonging to the classes of fuels (tow values
of the oxygen coefficient A), explosives (medium A), and oxidants (hi
gh A values) was studied by a computer generation procedure. The numbe
r of the theoretically possible structural formulas was found to decre
ase rapidly an going from fuels to explosives and then to oxidants; th
is observation agrees with the data on the numbers of various energeti
c compounds currently used and proposed. The strategy of the search fo
r new compounds with the specified properties is described in brief, a
nd its applicability to the search for explosives and oxidants with a
small (up to 12) number of atoms in a molecule is evaluated.