H iskeyM，GoldmanN，Stine J.H ighˉnitrogen engergeticmaterials derived from azotetrazole[J].JEnergeticMaterials，1998，16:
[7]
Chen Z X，Fan JF，XiaoH M.Theoretical study on tetrazole and its derivatives，part7:ab initioMO and thermodynamic calculaˉtions on azido derivatives of tetrazole[J].Theochem，1999，458:249ˉ256.
[8]
Becke A D.Densityˉfunctional thermochemistry III:the role of exact exchange[J].J Chem Phys，1993，98:5648ˉ5652.
[9]
Woon D E，Dunning TH.Gaussian basis sets for use in correlated molecular calculations III:the atoms aluminum through argon [J].J Chem Phys，1993，98:1358ˉ1371.
[10]
Reed A E，W einstock R B，W einhold F.Natural localized molecular orbitals[J].J Chem Phys，1985，83:735ˉ746.
[11]
Hansch C，Leo A，TaftR W.A survey of hammett substituent constants and resonance and field parameters[J].Chem Rev，1991，91:165ˉ195.
[12]
Nicolaides A，Radom L.Gaussianˉ2theory:reduced basis set requirements[J].Mol Phys，1996，88:759ˉ765.
[13]
Curtiss L A，RaghavachariK，Redferm P C，et al.AssessmentofGaussianˉ2and density functional theories for the computation of enthalpiesof formation[J].J Chem Phys，1997，106:1063ˉ1079.
