
TY  - JOUR
A1  - Stals, J 
T1  - The chemistry of aliphatic unconjugated nitramines. II. Intramolecular properties and crystal packing
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1969
VL  - 22
IS  - 12
SP  - 2505
EP  - 2514
KW  - 
UR  - https://doi.org/10.1071/CH9692505 
N2  - 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. 
ER  -

