-
3
-
-
84906874507
-
The detonation parameters of high density explosives predicted with the VLWR EOS(R)
-
Long, X. P.; Jiang, X. H.; He, B. The detonation parameters of high density explosives predicted with the VLWR EOS(R).). Proceedings of the 1996 International Autumn Seminar on Propellants Explosives & Pyrotechnics, Beijing, 1996.
-
Proceedings of the 1996 International Autumn Seminar on Propellants Explosives & Pyrotechnics, Beijing, 1996
-
-
Long, X.P.1
Jiang, X.H.2
He, B.3
-
4
-
-
34250751073
-
-
Science Press: Beijing, and its revision, Science City, Mianyang, Sichuan, in Chinese
-
Dong, H.; Zhou, F. High Energetic Explosives and Relatives; Science Press: Beijing, 1994; and its revision, Science City, Mianyang, Sichuan, 2005 (in Chinese).
-
(1994)
High Energetic Explosives and Relatives
-
-
Dong, H.1
Zhou, F.2
-
5
-
-
46049112900
-
-
Zhang, C.; Wang, X.; Huang, H. J. Am. Chem. Soc. 2008, 130, 8359-8365.
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 8359-8365
-
-
Zhang, C.1
Wang, X.2
Huang, H.3
-
6
-
-
78650620304
-
-
Zhang, C.; Cao, X.; Xiang, B. J. Phys. Chem. C 2010, 114, 22684-22687.
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 22684-22687
-
-
Zhang, C.1
Cao, X.2
Xiang, B.3
-
9
-
-
84881397630
-
-
Zhang, C.; Xue, X.; Cao, Y.; Zhou, J.; Zhang, A.; Li, H.; Zhou, Y.; Xu, R.; Gao, T. CrystEngComm 2013, 15, 6837-6844.
-
(2013)
CrystEngComm
, vol.15
, pp. 6837-6844
-
-
Zhang, C.1
Xue, X.2
Cao, Y.3
Zhou, J.4
Zhang, A.5
Li, H.6
Zhou, Y.7
Xu, R.8
Gao, T.9
-
10
-
-
84906861486
-
-
Ma, Y.; Zhang, A.; Zhang, C.; Jiang, D.; Zhu, Y.; Zhang, C. Cryst. Growth Des. 2014, 14, 4703-4713.
-
(2014)
Cryst. Growth Des.
, vol.14
, pp. 4703-4713
-
-
Ma, Y.1
Zhang, A.2
Zhang, C.3
Jiang, D.4
Zhu, Y.5
Zhang, C.6
-
12
-
-
0000776859
-
-
Fox, D., Labes, M. M., Wessberger, A., Eds.; Wiley: New York
-
McCrone, W. C. In Physics and Chemistry of the Organic Solid State; Fox, D., Labes, M. M., Wessberger, A., Eds.; Wiley: New York, 1965; Vol. II, p 726.
-
(1965)
Physics and Chemistry of the Organic Solid State
, vol.2
, pp. 726
-
-
McCrone, W.C.1
-
13
-
-
13144262820
-
-
Nielsen, A. T.; Chafin, A. P.; Christian, S. L.; Moore, D. W.; Nadler, M. P.; Nissan, R. A.; Vanderah, D. J.; Gilardi, R. C.; George, F.; Flippen-Anderson, J. L. Tetrahedron 1998, 54, 11793.
-
(1998)
Tetrahedron
, vol.54
, pp. 11793
-
-
Nielsen, A.T.1
Chafin, A.P.2
Christian, S.L.3
Moore, D.W.4
Nadler, M.P.5
Nissan, R.A.6
Vanderah, D.J.7
Gilardi, R.C.8
George, F.9
Flippen-Anderson, J.L.10
-
14
-
-
0345149869
-
-
Ou, Y.; Wang, C.; Pan, Z.; Chen, B. Chin. J. Energetic Mater. 1999, 7, 100-102.
-
(1999)
Chin. J. Energetic Mater.
, vol.7
, pp. 100-102
-
-
Ou, Y.1
Wang, C.2
Pan, Z.3
Chen, B.4
-
17
-
-
80052592011
-
-
Bolton, O.; Matzger, A. J. Angew. Chem., Int. Ed. 2011, 50, 8960-8963.
-
(2011)
Angew. Chem., Int. Ed.
, vol.50
, pp. 8960-8963
-
-
Bolton, O.1
Matzger, A.J.2
-
18
-
-
84865856945
-
-
Bolton, O.; Simke, L. R.; Pagoria, P. F.; Matzger, A. J. Cryst. Growth Des. 2012, 12, 4311-4314.
-
(2012)
Cryst. Growth Des.
, vol.12
, pp. 4311-4314
-
-
Bolton, O.1
Simke, L.R.2
Pagoria, P.F.3
Matzger, A.J.4
-
19
-
-
84868673295
-
-
Yang, Z.; Li, H.; Zhou, X.; Zhang, C.; Huang, H.; Li, J.; Nie, F. Cryst. Growth Des. 2012, 12, 5155-5158.
-
(2012)
Cryst. Growth Des.
, vol.12
, pp. 5155-5158
-
-
Yang, Z.1
Li, H.2
Zhou, X.3
Zhang, C.4
Huang, H.5
Li, J.6
Nie, F.7
-
20
-
-
84876701660
-
-
Zhang, C.; Cao, Y.; Li, H.; Zhou, Y.; Gao, T.; Zhang, H.; Xu, J.; Yang, Z.; Jiang, G. CrystEngComm 2013, 15, 4003-4014.
-
(2013)
CrystEngComm
, vol.15
, pp. 4003-4014
-
-
Zhang, C.1
Cao, Y.2
Li, H.3
Zhou, Y.4
Gao, T.5
Zhang, H.6
Xu, J.7
Yang, Z.8
Jiang, G.9
-
21
-
-
84905715449
-
-
Zhang, C.; Yang, Z.; Zhou, X.; Zhang, C.; Ma, Y.; Xu, J.; Zhang, Q.; Nie, F.; Li, H. Cryst. Growth Des. 2014, 14, 3923-3928.
-
(2014)
Cryst. Growth Des.
, vol.14
, pp. 3923-3928
-
-
Zhang, C.1
Yang, Z.2
Zhou, X.3
Zhang, C.4
Ma, Y.5
Xu, J.6
Zhang, Q.7
Nie, F.8
Li, H.9
-
22
-
-
84902477921
-
-
Zhang, C.; Xue, X.; Cao, Y.; Zhou, J.; Zhang, A.; Li, H.; Zhou, Y.; Xu, R.; Gao, T. CrystEngComm 2014, 16, 5905-5916.
-
(2014)
CrystEngComm
, vol.16
, pp. 5905-5916
-
-
Zhang, C.1
Xue, X.2
Cao, Y.3
Zhou, J.4
Zhang, A.5
Li, H.6
Zhou, Y.7
Xu, R.8
Gao, T.9
-
23
-
-
11644262068
-
-
Oyumi, Y.; Brill, T. B.; Rheingold, A. L. J. Phys. Chem. 1985, 89, 4824.
-
(1985)
J. Phys. Chem.
, vol.89
, pp. 4824
-
-
Oyumi, Y.1
Brill, T.B.2
Rheingold, A.L.3
-
25
-
-
33751554828
-
-
Archibald, T. G.; Gilardi, R.; Baum, K.; George, C. J. Org. Chem. 1990, 55, 2920.
-
(1990)
J. Org. Chem.
, vol.55
, pp. 2920
-
-
Archibald, T.G.1
Gilardi, R.2
Baum, K.3
George, C.4
-
28
-
-
18444367591
-
-
Gilardi, R.; Flippen-Anderson, J. L.; Evans, R. Acta Crystallogr. 2002, E58, o972.
-
(2002)
Acta Crystallogr.
, vol.E58
, pp. o972
-
-
Gilardi, R.1
Flippen-Anderson, J.L.2
Evans, R.3
-
29
-
-
0346837536
-
-
Cady, H. H.; Larson, A. C.; Cromer, D. T. Acta Crystallogr. 1966, 20, 336.
-
(1966)
Acta Crystallogr.
, vol.20
, pp. 336
-
-
Cady, H.H.1
Larson, A.C.2
Cromer, D.T.3
-
30
-
-
0039314249
-
-
Akopyan, Z. A.; Struchkov, Yu. T.; Dashevii, V. G. Zh. Strukt. Khim. (Russ.) (J. Struct. Chem.) 1966, 7, 408.
-
(1966)
Zh. Strukt. Khim. (Russ.) (J. Struct. Chem.)
, vol.7
, pp. 408
-
-
Akopyan, Z.A.1
Struchkov, Y.T.2
Dashevii, V.G.3
-
31
-
-
0034677028
-
-
Zhang, M. X.; Eaton, P. E.; Gilardi, R. Angew. Chem., Int. Ed. 2000, 39, 401.
-
(2000)
Angew. Chem., Int. Ed.
, vol.39
, pp. 401
-
-
Zhang, M.X.1
Eaton, P.E.2
Gilardi, R.3
-
34
-
-
19944421798
-
-
and references therein
-
Zhang, C.; Shu, Y.; Huang, Y.; Zhao, X.; Dong, H. J. Phys. Chem. B 2005, 109, 8978-8982 and references therein.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 8978-8982
-
-
Zhang, C.1
Shu, Y.2
Huang, Y.3
Zhao, X.4
Dong, H.5
-
35
-
-
0004026346
-
3-Nitro-1,2,4-Triazole-5-One, A Less Sensitive Explosive
-
United States Patent
-
Lee, K. Y.; Coburn, M. D. 3-Nitro-1,2,4-Triazole-5-One, A Less Sensitive Explosive, United States Patent, 1988, Patent Number: 4733610.
-
(1988)
-
-
Lee, K.Y.1
Coburn, M.D.2
-
36
-
-
0011113160
-
-
Storm, C. B.; Stine, J. R.; Kramer, J. F. Chem. Phys. Energetic Mater. 1990, 309, 605-639.
-
(1990)
Chem. Phys. Energetic Mater.
, vol.309
, pp. 605-639
-
-
Storm, C.B.1
Stine, J.R.2
Kramer, J.F.3
-
37
-
-
0032541644
-
-
Latypov, N. V.; Bergman, J.; Langlet, A.; Wellmar, U.; Bemm, U. Tetrahedron 1998, 54, 11525-11536.
-
(1998)
Tetrahedron
, vol.54
, pp. 11525-11536
-
-
Latypov, N.V.1
Bergman, J.2
Langlet, A.3
Wellmar, U.4
Bemm, U.5
-
38
-
-
62649166916
-
-
Klasovity, D.; Zeman, S.; Ruzicka, A.; Jungova, M.; Rohac, M. J. Hazard. Mater. 2009, 164, 954-961.
-
(2009)
J. Hazard. Mater.
, vol.164
, pp. 954-961
-
-
Klasovity, D.1
Zeman, S.2
Ruzicka, A.3
Jungova, M.4
Rohac, M.5
-
40
-
-
33644576434
-
-
Naval Weapons Center: China Lake, CA
-
(b) Wilson, W. S.; Bliss, D. E.; Christian, S. L.; Knight, D. J. Naval Weapons Center Technical Report NWC TP 7073; Naval Weapons Center: China Lake, CA, 1990.
-
(1990)
Naval Weapons Center Technical Report NWC TP 7073
-
-
Wilson, W.S.1
Bliss, D.E.2
Christian, S.L.3
Knight, D.J.4
-
41
-
-
0344035579
-
-
(a) Zeman, S.; Krupka, M. Propellants, Explos., Pyrotech. 2003, 28, 249-255.
-
(2003)
Propellants, Explos., Pyrotech.
, vol.28
, pp. 249-255
-
-
Zeman, S.1
Krupka, M.2
-
43
-
-
36148999410
-
-
Zhurova, E. A.; Zhurov, V. V.; Pinkerton, A. A. J. Am. Chem. Soc. 2007, 129, 13887-13893.
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 13887-13893
-
-
Zhurova, E.A.1
Zhurov, V.V.2
Pinkerton, A.A.3
-
44
-
-
84908677102
-
-
note
-
3 package.
-
-
-
-
45
-
-
84908677101
-
-
note
-
The weakest bond was confirmed using natural bond order (NBO) analyses.
-
-
-
-
46
-
-
84908677100
-
-
note
-
The ESPs were calculated at the level of M06-2X/6-311+G (d,p).
-
-
-
-
48
-
-
84908677099
-
-
note
-
The molecular isosurfaces are of electron density (ρ) of 0.001 au.
-
-
-
-
53
-
-
0037166976
-
-
Zhurova, E. A.; Martin, A.; Pinkerton, A. A. J. Am. Chem. Soc. 2002, 124, 8741-8750.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 8741-8750
-
-
Zhurova, E.A.1
Martin, A.2
Pinkerton, A.A.3
-
54
-
-
0347064099
-
-
Ritchie, J. P.; Zhurova, E. A.; Martin, A.; Pinkerton, A. A. J. Phys. Chem. B 2003, 107, 14576-14589.
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 14576-14589
-
-
Ritchie, J.P.1
Zhurova, E.A.2
Martin, A.3
Pinkerton, A.A.4
-
55
-
-
33947496852
-
-
Chen, Y.-S.; Stash, A. I.; Pinkerton, A. A. Acta Crystallogr. 2007, B63, 309-318.
-
(2007)
Acta Crystallogr.
, vol.B63
, pp. 309-318
-
-
Chen, Y.-S.1
Stash, A.I.2
Pinkerton, A.A.3
-
56
-
-
33751010192
-
-
Zhurova, E. A.; Stash, A. I.; Tsirelson, V. G.; Zhurov, V. V.; Bartashevich, E. V.; Potemkin, V. A.; Pinkerton, A. A. J. Am. Chem. Soc. 2006, 128, 14728-14734.
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 14728-14734
-
-
Zhurova, E.A.1
Stash, A.I.2
Tsirelson, V.G.3
Zhurov, V.V.4
Bartashevich, E.V.5
Potemkin, V.A.6
Pinkerton, A.A.7
-
57
-
-
0036570205
-
-
Zhurova, E. A.; Tsirelson, V. G.; Stash, A. I.; Pinkerton, A. A. J. Am. Chem. Soc. 2002, 124, 4574-4575.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 4574-4575
-
-
Zhurova, E.A.1
Tsirelson, V.G.2
Stash, A.I.3
Pinkerton, A.A.4
-
58
-
-
11344251620
-
-
Zhurova, E. A.; Tsirelson, V. G.; Stash, A. I.; Yakovlev, M. V.; Pinkerton, A. A. J. Phys. Chem. B 2004, 108, 20173-20179.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 20173-20179
-
-
Zhurova, E.A.1
Tsirelson, V.G.2
Stash, A.I.3
Yakovlev, M.V.4
Pinkerton, A.A.5
-
59
-
-
0344983811
-
-
Politzer, P., Murray, J. S., Eds.; Elsevier: Amsterdam
-
Pinkerton, A. A.; Zhurova, E. A.; Chen, Yu.-Sh. In Energetic Materials.Theoretical and Computational Chemistry Series; Politzer, P., Murray, J. S., Eds.; Elsevier: Amsterdam, 2003; Vol. 12, pp 215-245.
-
(2003)
Energetic Materials.Theoretical and Computational Chemistry Series
, vol.12
, pp. 215-245
-
-
Pinkerton, A.A.1
Zhurova, E.A.2
Chen, Y.-S.3
-
60
-
-
13944279111
-
-
Klapötke, T. M.; Mayer, P.; Schulz, A.; Weigand, J. J. J. Am. Chem. Soc. 2005, 127, 2032-2033.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 2032-2033
-
-
Klapötke, T.M.1
Mayer, P.2
Schulz, A.3
Weigand, J.J.4
-
61
-
-
84908677098
-
-
note
-
In PC calculations, the vdW radii of C, H, N, and O were assigned 1.70, 1.20, 1.55, and 1.52 A˚ as usual to calculate molecular volumes.
-
-
-
-
66
-
-
34548810358
-
-
McKinnon, J. J.; Jayatilaka, D.; Spackman, M. A. Chem. Commun. 2007, 37, 3814-3816.
-
(2007)
Chem. Commun.
, vol.37
, pp. 3814-3816
-
-
McKinnon, J.J.1
Jayatilaka, D.2
Spackman, M.A.3
-
67
-
-
84908677097
-
-
note
-
norm of -0.2 to 1.2 A˚.
-
-
-
-
68
-
-
49749149949
-
-
University of Western Australia: Perth, Australia
-
Wolff, S. K.; Grimwood, D. J.; McKinnon, J. J.; Jayatilaka, D.; and Spackman, M. A. Crystal Explorer 3.0, University of Western Australia: Perth, Australia, 2009.
-
(2009)
Crystal Explorer 3.0
-
-
Wolff, S.K.1
Grimwood, D.J.2
McKinnon, J.J.3
Jayatilaka, D.4
Spackman, M.A.5
-
69
-
-
84908677096
-
-
note
-
For the sliding barrier calculations, a molecular force field based on the first principle, COMPASS, was employed. In the modeling, as shown in Figure 13, all molecules were kept rigid, and only a TATB or a HNB molecule slides above the layers with a constant distance.
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