-
1
-
-
0442267285
-
DFT comparative studies on the structures and properties of heterocyclic nitramines
-
J. J. Xiao, J. Zhang, D. Yang, H. M. Xiao, DFT Comparative Studies on the Structures and Properties of Heterocyclic Nitramines, Acta Chim. Sinica 2002, 60(12), 2110.
-
(2002)
Acta Chim. Sinica
, vol.60
, Issue.12
, pp. 2110
-
-
Xiao, J.J.1
Zhang, J.2
Yang, D.3
Xiao, H.M.4
-
2
-
-
0037702867
-
DFT studies on the high explosive hexanitrohexaazatricyclo-dodecanedinone
-
X. H. Ju, J. J. Xiao, Y. Li, H. M. Xiao, DFT Studies on the High Explosive Hexanitrohexaazatricyclo-dodecanedinone, Chin. J. Struct. Chem. 2003, 22(2), 223.
-
(2003)
Chin. J. Struct. Chem.
, vol.22
, Issue.2
, pp. 223
-
-
Ju, X.H.1
Xiao, J.J.2
Li, Y.3
Xiao, H.M.4
-
4
-
-
0002877024
-
The relationship between differential thermal analysis data and the detonation characteristics of polyni-troaromatic compounds
-
S. Zeman, The Relationship Between Differential Thermal Analysis Data and the Detonation Characteristics of Polyni-troaromatic Compounds, Thermochim. Acta 1980, 41, 199.
-
(1980)
Thermochim. Acta
, vol.41
, pp. 199
-
-
Zeman, S.1
-
5
-
-
29744450340
-
Electric spark sensitivity of polynitro compounds. Part II: A correlation with detonation velocity of some polynitro arenda
-
V. Zeman, J. Kočí, S. Zeman, Electric Spark Sensitivity of Polynitro Compounds. Part II: A Correlation with Detonation Velocity of Some Polynitro Arenda, HanNeng CaiLiao 1999, 7(3), 127.
-
(1999)
HanNeng CaiLiao
, vol.7
, Issue.3
, pp. 127
-
-
Zeman, V.1
Kočí, J.2
Zeman, S.3
-
6
-
-
29744450549
-
Electric spark sensitivity of polynitro compounds. Part III: A correlation with detonation velocity of some nitramines
-
V. Zeman, J. Kočí, S. Zeman, Electric Spark Sensitivity of Polynitro Compounds. Part III: A Correlation with Detonation Velocity of Some Nitramines. HanNeng CaiLiao 1999, 7(4), 172.
-
(1999)
HanNeng CaiLiao
, vol.7
, Issue.4
, pp. 172
-
-
Zeman, V.1
Kočí, J.2
Zeman, S.3
-
7
-
-
29944436298
-
Electric spark sensitivity of polynitro compounds. Part IV. A relation to thermal decomposition parameters
-
S. Zeman, J. Kočí, Electric Spark Sensitivity of Polynitro Compounds. Part IV. A Relation to Thermal Decomposition Parameters, HanNeng CaiLiao 2000, 8(1),18.
-
(2000)
HanNeng CaiLiao
, vol.8
, Issue.1
, pp. 18
-
-
Zeman, S.1
Kočí, J.2
-
8
-
-
33947651444
-
Chemistry of detonations. I. A simple method for calculating detonation properties of CHNO explosives
-
M. J. Kamlet, S. J. Jacobs, Chemistry of Detonations. I. A Simple Method for Calculating Detonation Properties of CHNO Explosives, J. Chem. Phys. 1968, 48, 23.
-
(1968)
J. Chem. Phys.
, vol.48
, pp. 23
-
-
Kamlet, M.J.1
Jacobs, S.J.2
-
9
-
-
0442268157
-
-
National Defense Industry Press, Beijing, People's Republic of China
-
X. H. Zhang, Z. H. Yun, Explosive Chemistry, National Defense Industry Press, Beijing, People's Republic of China, 1989.
-
(1989)
Explosive Chemistry
-
-
Zhang, X.H.1
Yun, Z.H.2
-
10
-
-
84988129057
-
Optimization of parameters for semi-empirical methods I. Method
-
J. J. P. Stewart, Optimization of Parameters for Semi-empirical Methods I. Method. J. Comput. Chem. 1989, 10, 209.
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 209
-
-
Stewart, J.J.P.1
-
11
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh. Pennsylvania, USA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J. J. Dannenberg, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian 98 (Revision A.1X), Gaussian, Inc., Pittsburgh. Pennsylvania, USA, 2001.
-
(2001)
Gaussian 98 (Revision A.1X)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Salvador, P.30
Dannenberg, J.J.31
Malick, D.K.32
Rabuck, A.D.33
Raghavachari, K.34
Foresman, J.B.35
Cioslowski, J.36
Ortiz, J.V.37
Baboul, A.G.38
Stefanov, B.B.39
Liu, G.40
Liashenko, A.41
Piskorz, P.42
Komaromi, I.43
Gomperts, R.44
Martin, R.L.45
Fox, D.J.46
Keith, T.47
Al-Laham, M.A.48
Peng, C.Y.49
Nanayakkara, A.50
Challacombe, M.51
Gill, P.M.W.52
Johnson, B.53
Chen, W.54
Wong, M.W.55
Andres, J.L.56
Gonzalez, C.57
Head-Gordon, M.58
Replogle, E.S.59
Pople, J.A.60
more..
-
12
-
-
0001539223
-
Obituary: Density functional theory (1927-1993)
-
P. M. W. Gill, Obituary: Density Functional Theory (1927-1993), Aust. J. Chem. 2001, 54, 661.
-
(2001)
Aust. J. Chem.
, vol.54
, pp. 661
-
-
Gill, P.M.W.1
-
13
-
-
0031576963
-
On the parameterization of the local correlation functional. What is becke-3-LYP?
-
R. H. Hertwig, W. Koch. On the Parameterization of the Local Correlation Functional. What is Becke-3-LYP?. Chem. Phys. Lett. 1997, 268, 345.
-
(1997)
Chem. Phys. Lett.
, vol.268
, pp. 345
-
-
Hertwig, R.H.1
Koch, W.2
-
14
-
-
0347170005
-
Self-consistent molecular orbital methods. XII. Further extensions of gaussiantype basis sets for use in molecular orbital studies of organic molecules
-
W. J. Hehre, R. Ditchfield, J. A. Pople, Self-Consistent Molecular Orbital Methods. XII. Further Extensions of GaussianType Basis Sets for Use in Molecular Orbital Studies of Organic Molecules. J. Chem. Phys. 1972, 56, 2257.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
18
-
-
33750444286
-
A simple method for predicting density and detonation properties of HEDMs based on quantum chemisty
-
in review
-
L. Qiu, H. M. Xiao, X. J. Xu, X. H. Ju, X. D. Gong, A Simple Method for Predicting Density and Detonation Properties of HEDMs Based on Quantum Chemisty, J. Phys. Chem. 2005 (in review).
-
(2005)
J. Phys. Chem.
-
-
Qiu, L.1
Xiao, H.M.2
Xu, X.J.3
Ju, X.H.4
Gong, X.D.5
-
19
-
-
0018479223
-
Predicting high explosive detonation velocities from their composition and structure
-
L. R. Rothstein, R. Petersen, Predicting High Explosive Detonation Velocities from their Composition and Structure. Propellants, Explos., Pyrotech. 1979, 4, 56.
-
(1979)
Propellants, Explos., Pyrotech.
, vol.4
, pp. 56
-
-
Rothstein, L.R.1
Petersen, R.2
-
20
-
-
0010414764
-
-
Weapon Industry Press, Beijing, People's Republic of China
-
S. H. Liu, Electrostatic Theory and Protection, Weapon Industry Press, Beijing, People's Republic of China, 1999.
-
(1999)
Electrostatic Theory and Protection
-
-
Liu, S.H.1
-
21
-
-
0040495192
-
The theoretical study on sensitivity and stability of polynitro arenes I. Nitro derivatives of aminobenzenes
-
H. M. Xiao, Z. Y. Wang, J. M. Yao, The Theoretical Study on Sensitivity and Stability of Polynitro Arenes I. Nitro Derivatives of Aminobenzenes, Acta Chim. Sinica 1985, 43, 14.
-
(1985)
Acta Chim. Sinica
, vol.43
, pp. 14
-
-
Xiao, H.M.1
Wang, Z.Y.2
Yao, J.M.3
-
23
-
-
0346223117
-
-
Science Press, Beijing, People's Republic of China
-
H. M. Xiao, Y. F. Li, Banding and Electronic Structures of Metal Azides - Sensitivity and Conductivity, Science Press, Beijing, People's Republic of China, 1996.
-
(1996)
Banding and Electronic Structures of Metal Azides - Sensitivity and Conductivity
-
-
Xiao, H.M.1
Li, Y.F.2
-
24
-
-
0042352361
-
Banding and electronic structures of metal azides-sensitivity and conductivity
-
H. M. Xiao, Y. F. Li, Banding and Electronic Structures of Metal Azides-Sensitivity and Conductivity, Sci. China, Ser. B: Chem. 1995, 38, 538.
-
(1995)
Sci. China, Ser. B: Chem.
, vol.38
, pp. 538
-
-
Xiao, H.M.1
Li, Y.F.2
-
25
-
-
30244537846
-
Theoretical study on pyrolysis and sensitivity of energetic compounds. (2) Nitro derivatives of benzene
-
J. F. Fan, H. M. Xiao, Theoretical Study on Pyrolysis and Sensitivity of Energetic Compounds. (2) Nitro Derivatives of Benzene, THEOCHEM 1996, 365, 225.
-
(1996)
THEOCHEM
, vol.365
, pp. 225
-
-
Fan, J.F.1
Xiao, H.M.2
-
26
-
-
0032345878
-
Theoretical study on pyrolysis and sensitivity of energetic compounds (3) nitro derivatives of aminobenzenes
-
H. M. Xiao, J. F. Fan, Z. M. Gu, H. S. Dong, Theoretical Study on Pyrolysis and Sensitivity of Energetic Compounds (3) Nitro Derivatives of Aminobenzenes. Chem. Phys. 1998, 226, 15.
-
(1998)
Chem. Phys.
, vol.226
, pp. 15
-
-
Xiao, H.M.1
Fan, J.F.2
Gu, Z.M.3
Dong, H.S.4
-
27
-
-
0000596999
-
Theoretical study on pyrolysis and sensitivity of energetic compounds. (4) Nitro derivatives of phenols
-
J. F. Fan, Z. M. Gu, H. M. Xiao, H. S. Dong, Theoretical Study on Pyrolysis and Sensitivity of Energetic Compounds. (4) Nitro Derivatives of Phenols, J. Phys. Org. Chem. 1998, 11, 177.
-
(1998)
J. Phys. Org. Chem.
, vol.11
, pp. 177
-
-
Fan, J.F.1
Gu, Z.M.2
Xiao, H.M.3
Dong, H.S.4
-
28
-
-
0033262121
-
Theoretical investigation on the impact sensitivity of tetrazole derivatives and their metal salts
-
Z. X. Chen, H. M. Xiao, S. L. Yang, Theoretical Investigation on the Impact Sensitivity of Tetrazole Derivatives and their Metal Salts, Chem. Phys. 1999, 250, 243.
-
(1999)
Chem. Phys.
, vol.250
, pp. 243
-
-
Chen, Z.X.1
Xiao, H.M.2
Yang, S.L.3
-
29
-
-
0034692199
-
Impact sensitivity and activation energy of pyrolysis for tetrazole compounds
-
Z. X. Chen, H. M. Xiao, Impact Sensitivity and Activation Energy of Pyrolysis for Tetrazole Compounds, Int. J. Quantum Chem. 2000, 79, 350.
-
(2000)
Int. J. Quantum Chem.
, vol.79
, pp. 350
-
-
Chen, Z.X.1
Xiao, H.M.2
-
30
-
-
0003415552
-
-
Science Press, Beijing, People's Republic of China
-
H. M. Xiao, Z. X, Chen, The Modern Theory of Tetrazole Chemistry, Science Press, Beijing, People's Republic of China, 2000.
-
(2000)
The Modern Theory of Tetrazole Chemistry
-
-
Xiao, H.M.1
Chen, Z.X.2
|