  We report the structural, elastic and vibrational properties of five
ionic-molecular solid oxidizers MNO$_3$ (M = Li, Na, K) and MClO$_3$ (M = Na,
K). By treating long range electron-correlation effects, dispersion corrected
method leads to more accurate predictions of structural properties and phase
stability of KNO$_3$ polymorphs. The obtained elastic moduli show soft nature
of these materials and are consistent with Ultrasonic Pulse Echo measurements.
We made a complete assignment of vibrational modes which are in good accord
with available experimental results. From calculated IR and Raman spectra, it
is found that the vibrational frequencies show a red-shift from Li -> Na -> K
(Na -> K) and N -> Cl for nitrates (chlorates) due to increase in mass of metal
and non-metal atoms, respectively. The calculated electronic structure using
recently developed Tran-Blaha modified Becke-Johnson potential show that the
materials are wide band gap insulators with predominant ionic bonding between
M$^+$ (metal) and NO$_3^-$ /ClO$_3^-$ ions and covalent bonding (N-O and Cl-O)
within nitrate and chlorate anionic group. From the calculated optical spectra,
we observe that electric-dipole transitions are due to nitrate/chlorate group
below 20 eV and cationic transitions occur above 20 eV. The calculated
reflectivity spectra are consistent with the available experimental spectra.
