-
2
-
-
3042628066
-
A review of advanced high performance, insensitive and thermally stable energetic materials emerging for military and space applications
-
Sikder AK, Sikder N (2004) A review of advanced high performance, insensitive and thermally stable energetic materials emerging for military and space applications. J Hazar Mater A 112:1-15.
-
(2004)
J Hazar Mater A
, vol.112
, pp. 1-15
-
-
Sikder, A.K.1
Sikder, N.2
-
3
-
-
78650101874
-
Thermal sensitivity of HMX crystals and HMX-based explosives treated under various conditions
-
and references there in
-
Zhang C, Peng Q, Wang L, Wang X (2010) Thermal sensitivity of HMX crystals and HMX-based explosives treated under various conditions. Propel Explos Pyrotech 35:561-566, and references there in.
-
(2010)
Propel Explos Pyrotech
, vol.35
, pp. 561-566
-
-
Zhang, C.1
Peng, Q.2
Wang, L.3
Wang, X.4
-
6
-
-
77953925516
-
A possible crystal volume factor in the impact sensitivities of some energetic compounds
-
Pospíšil M, Vávra P, Concha MC, Murray JS, Politzer P (2010) A possible crystal volume factor in the impact sensitivities of some energetic compounds. J Mol Model 16:895-901.
-
(2010)
J Mol Model
, vol.16
, pp. 895-901
-
-
Pospíšil, M.1
Vávra, P.2
Concha, M.C.3
Murray, J.S.4
Politzer, P.5
-
7
-
-
80255138875
-
Sensitivity and the acailable free space per molecule in the unit cell
-
Pospíšil M, Vávra P, Concha MC, Murray JS, Politzer P (2011) Sensitivity and the acailable free space per molecule in the unit cell. J Mol Model 17:2569-2574.
-
(2011)
J Mol Model
, vol.17
, pp. 2569-2574
-
-
Pospíšil, M.1
Vávra, P.2
Concha, M.C.3
Murray, J.S.4
Politzer, P.5
-
8
-
-
0000808656
-
Effects of strongly electronattracting components on molecular surface electrostatic potentials: Application to predicting impact sensitivities of energetic molecules
-
Murray JS, Lane P, Politzer P (1998) Effects of strongly electronattracting components on molecular surface electrostatic potentials: application to predicting impact sensitivities of energetic molecules. Mol Phys 93:187-194.
-
(1998)
Mol Phys
, vol.93
, pp. 187-194
-
-
Murray, J.S.1
Lane, P.2
Politzer, P.3
-
9
-
-
33646762468
-
Investigations of correlation between nitro group charges and C-nitro bond strength, and amino group effects on Cnitro bonds in planar conjugated molecules
-
Zhang C (2006) Investigations of correlation between nitro group charges and C-nitro bond strength, and amino group effects on Cnitro bonds in planar conjugated molecules. Chem Phys 324:547-555.
-
(2006)
Chem Phys
, vol.324
, pp. 547-555
-
-
Zhang, C.1
-
10
-
-
54949136134
-
Investigation of the correlations between nitro group charges and some properties of nitro organic compounds
-
Zhang C (2008) Investigation of the correlations between nitro group charges and some properties of nitro organic compounds. Propel Explos Pyrotech 33:139-145.
-
(2008)
Propel Explos Pyrotech
, vol.33
, pp. 139-145
-
-
Zhang, C.1
-
11
-
-
46049112900
-
Π-Stacked interactions in explosive crystals: Buffers against external mechanical stimuli
-
Zhang C, Wang X, Huang H (2008) π-stacked interactions in explosive crystals: buffers against external mechanical stimuli. J Am Chem Soc 130:8359-8365.
-
(2008)
J Am Chem Soc
, vol.130
, pp. 8359-8365
-
-
Zhang, C.1
Wang, X.2
Huang, H.3
-
12
-
-
84859142204
-
Some perspectives on estimating detonation properties of C, H, N, O compounds
-
Politzer P, Murray JS (2011) Some perspectives on estimating detonation properties of C, H, N, O compounds. Central Europ J Energet Mater 8:209-220.
-
(2011)
Central Europ J Energet Mater
, vol.8
, pp. 209-220
-
-
Politzer, P.1
Murray, J.S.2
-
13
-
-
70349194929
-
Molecular design of 1, 2, 4, 5-tetrazine-based high-energy density materials
-
Tao W, Zhu W, Zhang X, Li Y, Xiao H (2009) Molecular design of 1, 2, 4, 5-tetrazine-based high-energy density materials. J Phys Chem A 113:9404-9412.
-
(2009)
J Phys Chem A
, vol.113
, pp. 9404-9412
-
-
Tao, W.1
Zhu, W.2
Zhang, X.3
Li, Y.4
Xiao, H.5
-
14
-
-
0018454474
-
The relationship of impact sensitivity with structure of organic high explosives. II. Polynitroaromatic explosives
-
Kamlet MJ, Adolph HG (1979) The relationship of impact sensitivity with structure of organic high explosives. II. Polynitroaromatic explosives. Propellants Explos Pyrotech 4:30-34.
-
(1979)
Propellants Explos Pyrotech
, vol.4
, pp. 30-34
-
-
Kamlet, M.J.1
Adolph, H.G.2
-
16
-
-
56149091282
-
Review of the establishment of nitro group charge method and its applications
-
Zhang C (2009) Review of the establishment of nitro group charge method and its applications. J Hazard Mater 161:21-28.
-
(2009)
J Hazard Mater
, vol.161
, pp. 21-28
-
-
Zhang, C.1
-
17
-
-
23844527402
-
A new method to evaluate the stability of the covalent compound: By the charges on the common atom or group
-
Zhang C, Shu Y, Wang X, Zhao X, Tan B, Peng R (2005) A new method to evaluate the stability of the covalent compound: By the charges on the common atom or group. J Phys Chem A 109:6592-6596.
-
(2005)
J Phys Chem A
, vol.109
, pp. 6592-6596
-
-
Zhang, C.1
Shu, Y.2
Wang, X.3
Zhao, X.4
Tan, B.5
Peng, R.6
-
18
-
-
33846350534
-
Investigation on the correlation between the interaction energies of all substituted groups and the molecular stabilities of nitro compounds
-
Zhang C (2006) Investigation on the correlation between the interaction energies of all substituted groups and the molecular stabilities of nitro compounds. J Phys Chem A 110:14029- 14035.
-
(2006)
J Phys Chem A
, vol.110
, pp. 14029-14035
-
-
Zhang, C.1
-
19
-
-
0013602932
-
Activation hardness: New index for describing the orientation of electrophilic aromatic substitution
-
Zhou Z, Parr RG (1990) Activation hardness: New index for describing the orientation of electrophilic aromatic substitution. J Am Chem Soc 112:5720-5724.
-
(1990)
J Am Chem Soc
, vol.112
, pp. 5720-5724
-
-
Zhou, Z.1
Parr, R.G.2
-
20
-
-
33845183253
-
Absolute electronegativity and hardness: Application to organic chemistry
-
Pearson RG (1989) Absolute electronegativity and hardness: Application to organic chemistry. J Org Chem 54:1423-1430.
-
(1989)
J Org Chem
, vol.54
, pp. 1423-1430
-
-
Pearson, R.G.1
-
21
-
-
0001019599
-
A relationship between impact sensitivity and the electrostatic potentials at the midpoints of C-NO2 bonds in nitroaromatics
-
Murray JS, Lane P, Politzer P, Bulduc PR (1990) A relationship between impact sensitivity and the electrostatic potentials at the midpoints of C-NO2 bonds in nitroaromatics. Chem Phys Lett 168:135-139.
-
(1990)
Chem Phys Lett
, vol.168
, pp. 135-139
-
-
Murray, J.S.1
Lane, P.2
Politzer, P.3
Bulduc, P.R.4
-
22
-
-
0018455567
-
Density estimatioms for explosives and related compounds using the group additivity approach
-
Tarver CM (1979) Density estimatioms for explosives and related compounds using the group additivity approach. J Chem Eng Data 24:136-145.
-
(1979)
J Chem Eng Data
, vol.24
, pp. 136-145
-
-
Tarver, C.M.1
-
23
-
-
0003723204
-
Predictions of crystal densities of organic explosives by group additivity
-
Los Alamos, NM
-
Stine JR (1981) Predictions of crystal densities of organic explosives by group additivity; Report LA-8920; Los Alamos National Laboratory. Los Alamos, NM.
-
(1981)
Report LA-8920; Los Alamos National Laboratory
-
-
Stine, J.R.1
-
24
-
-
0032178827
-
A new atom-functional group volume additivity data base for the calculation of the crystal densities of C, H, N, O and F-containing compounds
-
Ammon HL, Mitchell S (1998) A new atom-functional group volume additivity data base for the calculation of the crystal densities of C, H, N, O and F-containing compounds. Propellants Explos Pyrotech 23:260-265.
-
(1998)
Propellants Explos Pyrotech
, vol.23
, pp. 260-265
-
-
Ammon, H.L.1
Mitchell, S.2
-
25
-
-
0042180414
-
New atom/functional group volume additivity data bases for the calculation of the crystal densities of C-, H-, N-, O-, F-, S-, P-, Cl-, and Br-containingcompounds
-
Ammon HL (2001) New atom/functional group volume additivity data bases for the calculation of the crystal densities of C-, H-, N-, O-, F-, S-, P-, Cl-, and Br-containingcompounds. Struct Chem 12:205-212.
-
(2001)
Struct Chem
, vol.12
, pp. 205-212
-
-
Ammon, H.L.1
-
26
-
-
84986465505
-
Ab initio prediction of possible crystal structures for general organic molecules
-
Karfunkel HR, Gdanitz RJ (1992) Ab initio prediction of possible crystal structures for general organic molecules. J Comput Chem 13:1171-1183.
-
(1992)
J Comput Chem
, vol.13
, pp. 1171-1183
-
-
Karfunkel, H.R.1
Gdanitz, R.J.2
-
27
-
-
0039924760
-
Relationships of molecular surface electrostatic potentials to some macroscopic properties
-
Murray JS, Brinck T, Politzer P (1996) Relationships of molecular surface electrostatic potentials to some macroscopic properties. Chem Phys 204:289-295.
-
(1996)
Chem Phys
, vol.204
, pp. 289-295
-
-
Murray, J.S.1
Brinck, T.2
Politzer, P.3
-
28
-
-
84962338953
-
Prediction of physicochemical properties of organic molecules using van der Waals surface electrostatic potentials
-
Kim CK, Lee KA, Hyun KH, Park HJ, Kwack IY, Kim CK, Lee HW, Lee B-S (2004) Prediction of physicochemical properties of organic molecules using van der Waals surface electrostatic potentials. J Comput Chem 25:2073-2079.
-
(2004)
J Comput Chem
, vol.25
, pp. 2073-2079
-
-
Kim, C.K.1
Lee, K.A.2
Hyun, K.H.3
Park, H.J.4
Kwack, I.Y.5
Kim, C.K.6
Lee, H.W.7
Lee, B.-S.8
-
29
-
-
47149105849
-
Prediction of densities for solid energetic molecules with molecular surface electrostatic potentials
-
Kim CK, Cho SG, Kim CK, Park H-Y, Zhang H, Lee HW (2008) Prediction of densities for solid energetic molecules with molecular surface electrostatic potentials. J Comput Chem 29:1818-1824.
-
(2008)
J Comput Chem
, vol.29
, pp. 1818-1824
-
-
Kim, C.K.1
Cho, S.G.2
Kim, C.K.3
Park, H.-Y.4
Zhang, H.5
Lee, H.W.6
-
31
-
-
19944421798
-
Investigation of correlation between impact sensitivities and nitro group charges in nitro compounds
-
Zhang C, Shu Y, Huang Y, Zhao X, Dong H (2005) Investigation of correlation between impact sensitivities and nitro group charges in nitro compounds. J Phys Chem B 109:8978-8982.
-
(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
-
32
-
-
77649147190
-
Relationships for the impact sensitivities of energetic C-nitro compounds based on bond dissociation energy
-
Li J (2010) Relationships for the impact sensitivities of energetic C-nitro compounds based on bond dissociation energy. J Phys Chem B 114:2198-2202.
-
(2010)
J Phys Chem B
, vol.114
, pp. 2198-2202
-
-
Li, J.1
-
33
-
-
33947651444
-
Chemistry of detoantion. I. A simple method for calcualting the detoantion proiperties of C-H-N-O explosives
-
Kamlet MJ, Jacobs SJ (1968) Chemistry of detoantion. I. A simple method for calcualting the detoantion proiperties of C-H-N-O explosives. J Chem Phys 48:23-25.
-
(1968)
J Chem Phys
, vol.48
, pp. 23-25
-
-
Kamlet, M.J.1
Jacobs, S.J.2
-
34
-
-
84988129057
-
Optimization of parameters for semiempirical methods I
-
Stewart JJP (1989) Optimization of parameters for semiempirical methods I. Method J Comput Chem 10:209-212.
-
(1989)
Method J Comput Chem
, vol.10
, pp. 209-212
-
-
Stewart, J.J.P.1
-
35
-
-
84870559254
-
-
5.5 Acceryls Inc, San Diego, CA
-
Material Studio 5.5 (2010) Acceryls Inc, San Diego, CA.
-
(2010)
Material Studio
-
-
-
36
-
-
75249103960
-
Quantum-chemical studies on hexaazaisowurtzitanes
-
Ghule VD, Jadhav PM, Patil RS, Radhakrishnan S, Soman T (2010) Quantum-chemical studies on hexaazaisowurtzitanes. J Phys Chem A 114:498-503.
-
(2010)
J Phys Chem A
, vol.114
, pp. 498-503
-
-
Ghule, V.D.1
Jadhav, P.M.2
Patil, R.S.3
Radhakrishnan, S.4
Soman, T.5
-
37
-
-
33744998367
-
Computational investigation of the detonation properties of furazans and furoxans
-
and references there in
-
Zhang C (2006) Computational investigation of the detonation properties of furazans and furoxans. J Mol Struct THEOCHEM 765:77-83, and references there in.
-
(2006)
J Mol Struct THEOCHEM
, vol.765
, pp. 77-83
-
-
Zhang, C.1
|