
%0 Journal Article
%A Stals, J 
%T The chemistry of aliphatic unconjugated nitramines. II. Intramolecular properties and crystal packing
%J Australian Journal of Chemistry
%D 1969/12/01
%V 22
%N 12
%P 2505-2514
%K 
%R https://doi.org/10.1071/CH9692505
%U https://www.publish.csiro.au/paper/CH9692505 
%X The VESCF(BJ)-MO electric dipole moments, molecular ionization potentials, electronic bond energies, charge distributions, and bond orders for nitramide, N-methylnitramine, and s- and as-N,N- dimethylnitramines are reported. The packing of nitramide, RDX, and HNX in their molecular crystals is rationalized in terms of electrostatic and hydrogen-bonding interactions. Simple VB structures do not readily predict their calculated MO charge distributions and bond orders. 
