Fan J,Xiao H.Theoretical study on pyrolysis and sensitivity of energetic compounds.(2) Nitro derivatives of benzene[J].J Mol Struct (THEOCHEM),1996,365:225-229.
[2]
Xiao H M,Fan J F,Gu Z M,et al.Theoretical study on pyrolysis and sensitivity of energetic compounds:(3) Nitro derivatives of aminobenzenes[J].Chem Phys,1998,226:15-24.
[3]
Fan J,Gu Z,Xiao H,et al.Theoretical study on pyrolysis and sensitivity of energetic compounds.Part 4.Nitro derivatives of phenols[J].J Phys Org Chem,1998,11:177-184.
[4]
Chen Z X,Xiao M H,Yang S L.Theoretical investigation on the impact sensitivity of tetrazole derivatives and their metal salts[J].Chem Phys,1999,250:243-248.
[5]
Zhao Xu C,XIao H M.Impact sensitivity and activation energy of pyrolysis for tetrazole compounds[J].Int J Quantum Chem,2000,79:350-357.
[6]
Politzer P,Murray J S,Lane P,et al.A relationship between impact sensitivity and the electrostatic potentials at the midpoints of C-NO2 bonds in nitroaromatics[J].Chem Phys Lett,1991,181:78-82.
[7]
Politzer P,Abrahmsen L,Sjoberg P.Effects of amino and nitro substituents upon the electrostatic potential of an aromatic ring[J].J Am Chem Soc,1984,106:855.
[8]
Politzer P,Laurence P R,Abrahmsen L,et al.The aromatic C-NO2 bond as a site for nucleophilic attack[J].Chem Phys Lett,1984,111:75-78.
[9]
Politzer P,Murray J S.Relationships between dissociation energies and electrostatic potentials of C-NO2 bonds:Applications to impact sensitivities[J].J Mol Struct,1996,376:419-424.
[10]
Politzer P,Lane P.Comparison of density functional calculations of C-NO2,N-NO2 and C-NF2 dissociation energies[J].J Mol Struct,1996,388:51-55.
Owens F J,Jayasuriya K,Abrahmsen L,et al.Computational analysis of some properties associated with the nitro groups in polynitroaromatic molecules[J].Chem Phys Lett,1985,116:434-438.
[13]
Murray J S,Lane P,Politzer P,et al.A relationship between impact sensitivity and the electrostatic potentials at the midpoints of C-NO2 bonds in nitroaromatics[J].Chem Phys Lett,1990,168:135-139.
[14]
Murray J S,Lane P,Politzer P.Relationships between impact sensitivities and molecular surface electrostatic potentials of nitroaromatic and nitroheterocyclic molecules[J].Mol Phys,1995,85:1-8.
[15]
Murray J S,Lane P,Politzer P.Effects of strongly electron-attracting components on molecular surface electrostatic potentials:Application to predicting impact sensitivities of energetic molecules[J].Mol Phys,1998,93:187-194.
[16]
Kamlet M J.The relationship of impact sensitivity with structure of organic high explosives:I.polynitroaliphatic explosives[C]∥6th Symposium (International) on Detonation,Coronads,CA,Washington,DC Office of the Chief of Naval Operations,24-27 August,1976.
[17]
Mullay J.A relationship between impact sensitivity and molecular electronegativity[J].Propellants,Explos,Pyrotech,1987,12:60-63.
[18]
Mullay J.Relationships between impact sensitivity and molecular electronic structure[J].Propellants,Explos,Pyrotech,1987,12:121-124.
[19]
Fried L E,Ruggiero A J.Energy transfer rates in primary,secondary,and insensitive explosives[J].J Phys Chem,1994,98:9786-9791.
[20]
McNesby K L,Coffey C S.Spectroscopic determination of impact sensitivities of explosives spectroscopic determination of impact sensitivities of explosives[J].J Phys Chem B,1997,101:3097-3104.
[21]
Delpuech A,Cherville J.Relation entre La Structure Electronique et la Sensibilité au Choc des Explosifs Secondaires Nitrés.Critère Moléculaire de Sensibilité II.Cas des esters nitriques[J].Propellants,Explos,Pyrotech,1979,4:121-128.
[22]
Delpuech A,Cherville J.Relation entre la Structure Electronique et la Sensibilité au Choc des Explosifs Secondaires Nitrés-Critère Moléculaire de Sensibilité.I.Cas des Nitroaromatiques et des Nitramines[J].Propellants,Explos,Pyrotech,1978,3:169-175.
[23]
Zeman S,Krupka M.New aspects of impact reactivity of polynitro compounds,part III.impact sensitivity as a function of the intermolecular interactions[J].Propellants,Explos,Pyrotech,2003,28:301-307.
[24]
Zeman S.New aspects of impact reactivity of polynitro compounds,part IV.Allocation of polynitro compounds on the basis of their impact sensitivities[J].Propellants,Explos,Pyrotech,2003,28:308-313.
[25]
Kamlet M J,Adolph H G.The relationship of impact sensitivity with structure of organic high explosives.part II.polynitroaromatic explosives[J].Propellants,Explos,Pyrotech,1979,4:30-34.
[26]
Stine J R.On predicting properties of explosives-detonation velocity[J].J Energetic Mater,1990,8:41-73.
[27]
Sikder A K,Maddala G,Agrawal J P,et al.Important aspects of behavior of organic energetic compounds:A review[J].J Hazard Mater A,2001,84:1-26.
[28]
Zeman S.New aspects of initiation reactivities of energetic materials demonstrated on nitramines[J].J Hazard Mater A,2006,132:155-164.
[29]
Delpuech A,J Cherville.Relation entre La structure electronique et la Sensibilité au Choc des Explosifs Secondaires Nitrés.III.Influence de l\'environnement cristallin[J].Propellants,Explos,Pyrotech,1979,4:61-65.
[30]
Owens F J,Jayasuriya K,Abrahmsen L,et al.Computational analysis of some properties associated with the nitro groups in polynitroaromatic molecules[J].Chem Phys Lett,1985,116:434-438.
[31]
Murray J S,Lane P,Politzer P,et al.A relationship between impact sensitivity and the electrostatic potentials at the midpoints of C-NO2 bonds in nitroaromatics[J].Chem Phys Lett,1990,168:135-139.
[32]
Traver C M,Fried L E,Rigger A J,et al.Energy transfer in solid explosives[C]∥10th Symposium (International) on Detonation,Boston,Massachusetts,12-16 July,1993.
[33]
Vaullerin M,Espagnacq A,Morin-Allory L.Prediction of explosives impact sensitivity[J].Propellants,Explos,Pyrotech,1998,23:237-239.
[34]
Fukuyama I,Ogawa T,Miyake A.Sensitivity and evaluation of explosive substances[J].Propellants,Explos,Pyrotech,1986,11:140-143.
[35]
Brinck T,Murray J S,Politzer P.Quantitative determination of the total local polarity (charge separation) in molecules[J].Mol Phys,1992,76:609-617.
[36]
Xiao H M,Wang Z Y,Yao J M.The theoretical study on sensitivity and stability of polynitro arenes I.nitro derivatives of aminobenzenes[J].Acta Chim Sinica,1985,43:14-18.
[37]
Rice B M,Hare J J.A quantum mechanical investigation of the relation between impact sensitivity and the charge distribution in energetic molecules[J].J Phys Chem A,2002,106:1770-1783.
[38]
Brill T B,Oyumi Y J.Thermal decomposition of energetic materials.Part 9.A relationship of molecular structure and vibrations to decomposition:Polynitro-3,3,7,7-tetrakis(trifluoromethyl)-2,4,6,8-tetraazabicyclo[3.3.0]octanes[J].J Phys Chem,1986,90:2679-2682.
[39]
Edwards J,Eybl C,Johnson B.Correlation between sensitivity and approximated heats of detonation of several nitroamines using quantum mechanical methods[J].Inter J quantum Chem,2004,100:713-719.
[40]
Zhang C,Shu Y,Huang Y,et al.Theoretical investigation of the relationship between impact sensitivity and the charges of the nitro group in nitro compounds[J].J Energetic Mat,2005,23:107-119.
[41]
Zhang C,Shu Y,Huang Y,et al.Investigation of correlation between impact sensitivities and nitro group charges in nitro compounds[J].J Phys Chem B,2005,109:8978-8982.
[42]
Zhang C,Shu Y,Wang X,et al.A new method to evaluate the stability of the covalent compound:by the charges on the common atom or group[J].J Phys Chem A,2005,109:6592-6596.
[43]
Lipmann R P.An introduction to computing with neural nets[J].IEEE ASSP Mag,1987,4:10-31.
[44]
Widrow B,Lehr M A.30 years of adaptive neural networks[J].Proc IEEE,1990,78:1415-1433.
[45]
Cho S G,Tai No K,Goh E M,et al.Optimization of neural networks architecture for impact sensitivity of energetic molecular[J].Bull Korean Chem Soc,2005,26:399-408.
[46]
Keshavarz M H,Jaafari M.Investigation of the various structure parameters for predicting impact sensitivity of energetic molecules via artificial neural network[J].Propellants,Explos,Pyrotechn,2006,31:216-225.
[47]
Kamlet M J.Sensitivity relationships[C]∥3th Symposium (International) on Detonation,Princeton,New Jersey,26-28 September,1960.
[48]
Jain S R.Energetics of propellants,fuels and explosives; a chemical valence approach[J].Propellants,Explos,Pyrotech,1987,12:188-195.
[49]
Kamlet M J,Adolph H G.Some comments regarding the sensitivities,thermal stabilities,and explosive performance characteristics of fluorodinitromethyl compounds[C]∥7th Symposium (International) on Detonation,Anapolis,Maryland,16-19 June,1981.
[50]
Keshavarz M H,Pouretedal H R.Simple empirical method for prediction of impact sensitivity of selected class of explosives[J].J Hazard Mat A,2005,124:27-33.
[51]
Keshavarz M H.Prediction of impact sensitivity of nitroaliphatic,nitroaliphatic containing other functional groups and nitrate explosives[J].J Hazard Mat A,in press.
[52]
Keshavarz M H,Pouretedal H R,Semnani A.Novel correlation for predicting impact sensitivity of nitroheterocyclic energetic molecules[J].J Hazard Mat A,2007,141:803-807.
[53]
Keshavarz M H,Motamedoshariati H,Pouretedal H R,et al.Prediction of shock sensitivity of explosives based on small scale gap test[J].J Hazard Mat A,2007,145:109-112.
[54]
Keshavarz M H,Pouretedal H R,Kavosh Tehrani M,et al.Predicting of shock sensitivity of energetic compounds[J].Asian J Chem,in press.