Bates L R. The potential of tetrazoles in initiating explosive systems[C]∥Proceedings of the 13th Symposium on Explosives and Pyrotechnics,Hilton Head Island. 1986: 1-10.
[2]
Fronabarger J W,Sanbern W B,Massis T. Recent activities in the development of the explosive: BNCP[C]∥Proceedings of the 22nd International Pyrotechnics Seminar Chandler,1996: 645-652.
[3]
Oehrle S A,Massis T. Analysis of cobalt based explosives by capillary electrophoresis[J]. J Energ Mater,1997,15(2): 125-137.
[4]
盛涤伦,马凤娥. BNCP起爆药的合成及其主要性能[J]. 含能材料,2000,8(2): 100-103.SHENG Di-lun,MA Feng-e. Study on synthesis and main properties of BNCP[J]. Chinese Journal of Energetic Materials(Hanneng Cailiao),2000,8(2): 100-103.
[5]
Talawar M B,Agrawal A P,Asthana S N. Energetic co-ordination compounds: Synthesis,characterization and thermolysis studies on bis-(5-nitro-2H-tetrazolato-N2) tetraammine cobalt(Ⅲ) perchlorate(BNCP) and its new transition metal(Ni/Cu/Zn) perchlorate analogues[J]. J Hazard Mater,2005,120(1-3): 25-35.
Slater J C. Quantum Theory of Molecules and Solids[M]. New York: McGraw-Hill,1974.
[8]
Vosko S H,Wilk L,Nusair M. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: A critical analysis[J]. Can J Phys,1980,59(8): 1200-1211.
[9]
Perdew J P,Burke K,Ernzerhof M. Generalized gradient approximation made simple[J]. Phys Rev Lett,1996,77: 3865-3868.
[10]
Tao J M,Perdew J P,Staroverov V N. Climbing the density functional ladder: Nonempirical meta－generalized gradient approximation designed for molecules and solids[J]. Phys Rev Lett,2003,91(14): 146401-146404.
[11]
Lee C,Yang W,Parr R G. Development of the colle-salvetti correlation-energy formula into a functional of the electron density[J]. Phys Rev B,1988,37: 785-789.
[12]
Becke A D. Density-functional thermochemistry (Ⅲ). The role of exact exchange[J]. J Chem Phys,1993,98: 5648-5652.
[13]
Frisch M J,Trucks G W,Schlegel H B. Gaussian 03[CP]. Gaussian,Inc.,Wallingford,2004.
[14]
Frisch M J,Trucks G W,Schlegel H B. Gaussian development version[CP]. Revision F.02 ed,Gaussian,Inc.,Wallingford,CT,2006.
[15]
Hehre W J,Ditchfield R,Pople J A. Self-consistent molecular orbital methods. Ⅻ. Further extensions of Gaussian-type basis sets for use in molecular orbital studies of organic molecules[J]. J Chem Phys,1972,56(5): 2257-2261.
[16]
Hariharan P C,Pople J A. Influence of polarization functions on MO hydrogenation energies[J]. Theor Chim Acta,1973,28(3): 213-222.
[17]
Petrov K T,Veszprémi T. Hydrogen and silyl bridge in group 13 and 14 atom containing molecules[J]. Int J Quantum Chem,2009,109(11): 2526-2544.
[18]
Sorescu D C,Rice B M,Thompson D L. A transferable intermolecular potential for nitramine crystals[J]. J P hys Chem A,1998,102(43): 8386-8392.
[19]
肖鹤鸣,许晓娟,邱玲.高能量密度材料的理论设计[M]. 北京: 科学出版社,2008.XIAO He-ming,XU Xiao-juan,QIU Ling. The Design Theory of High Energy Density Materials[M]. Beijing: Science Press,2008.
[20]
Materials Studio 4.3[CP]. Accelys,San Diego,2008.
[21]
Morosin B,Dunn R G,Assink R. The secondary explosive tetraammine-cis-bis(5-nitro-2H-tetrazolato-N2) cobalt(Ⅲ) perchlorate at 293 and 213 K[J]. Acta Crystallographica Section C,1997,53(11): 1609-1611.
Huang H,Zhang T,Zhang J. Density functional theoretical study of transition metal carbohydrazide perchlorate complexes[J]. Chem Phys Lett,2009,487(4-5): 200-203.
[24]
Wiberg K B. Application of the pople-santry-segal CNDD method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane[J]. Tetrahedron,1968,24: 1083-1096.
