A new coordination complex [Cd2(ip)2(bpp)]n(1, H2 ip = isophthalic acid, bpp = 1,3-bis-(4-pyridyl) propane) has been synthesized and structurally characterized.
Density functional method was used to investigate the IR spectrum,heat of formation and thermal stability of a new energetic material bis(2,2-dinitropropyl) for
Density functional theory and GGA-PW91 exchange correlation function were performed to simulate the bonding behavior of hydroxyl and epoxy groups on the graphen