-
1
-
-
33751158842
-
Advanced energetic materials emerge for military and space applications
-
S. Borman, Advanced Energetic Materials Emerge for Military and Space Applications, Chem. & Eng. News, 1994, 72(3), 18.
-
(1994)
Chem. & Eng. News
, vol.72
, Issue.3
, pp. 18
-
-
Borman, S.1
-
3
-
-
0034246156
-
Polynitrocubanes: Advanced high-density high-energy materials
-
P. E. Eaton, R. L. Gilardi, M.-X. Zhang, Polynitrocubanes: Advanced High-Density High-Energy Materials, Adv. Mater. 2000, 12, 1143.
-
(2000)
Adv. Mater.
, vol.12
, pp. 1143
-
-
Eaton, P.E.1
Gilardi, R.L.2
Zhang, M.-X.3
-
4
-
-
3042628066
-
A review of advanced high performance, insensitive and thermally stable energetic materials emerging for military and space applications
-
A. K. Sikder, N. Sikder, A Review of Advanced High Performance, Insensitive and Thermally Stable Energetic Materials Emerging for Military and Space Applications, J. Hazard. Mater. 2004, 112, 1.
-
(2004)
J. Hazard. Mater.
, vol.112
, pp. 1
-
-
Sikder, A.K.1
Sikder, N.2
-
5
-
-
0033721914
-
An Ab initio study of potential energy surface for N8 isomers
-
G. Chung, M. W. Schmidt, M. S. Gordon, An Ab Initio Study of Potential Energy Surface for N8 Isomers, J. Phys. Chem. A 2000, 104, 5647.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 5647
-
-
Chung, G.1
Schmidt, M.W.2
Gordon, M.S.3
-
7
-
-
0038451602
-
4)
-
4), Eur. J. Chem. 2003, 9, 2840.
-
(2003)
Eur. J. Chem.
, vol.9
, pp. 2840
-
-
Wilson, W.W.1
Vij, A.2
Vij, V.3
Bernhardt, E.4
Christe, K.O.5
-
8
-
-
29544448392
-
-
U.S. Patent 5387297 The United States of America as represented by the Secretary of the Army (Washington, DC), USA
-
R. Damavarapu, K. Jayasuriya, T. Vladimroff, S. Iyer, 2,4-dinitroimidazole - a less sensitive explosive and propellant made by thermal rearrangement of molten 1,4 dinitroimidazole, U.S. Patent 5387297 1995, The United States of America as represented by the Secretary of the Army (Washington, DC), USA.
-
(1995)
2,4-dinitroimidazole - A Less Sensitive Explosive and Propellant Made by Thermal Rearrangement of Molten 1,4 Dinitroimidazole
-
-
Damavarapu, R.1
Jayasuriya, K.2
Vladimroff, T.3
Iyer, S.4
-
9
-
-
29544439945
-
Synthesis and characterization of 4,4′,5,5′-tetranitro-2, 2′-Bi-1H-imidazole (TNBI)
-
S. G. Cho, J. R. Cho, E. M. Goh, J.-K. Kim, R. Damavarapu, R. Surapaneni, Synthesis and Characterization of 4,4′,5,5′-Tetranitro-2,2′- Bi-1H-imidazole (TNBI), Propellants, Explos., Pyrotech. 2005, 30, 445.
-
(2005)
Propellants, Explos., Pyrotech.
, vol.30
, pp. 445
-
-
Cho, S.G.1
Cho, J.R.2
Goh, E.M.3
Kim, J.-K.4
Damavarapu, R.5
Surapaneni, R.6
-
10
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh PA
-
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, 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, C. Gonzalez, 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.7, Gaussian, Inc., Pittsburgh PA, 1998.
-
(1998)
Gaussian 98, Revision A.7
-
-
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
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
-
11
-
-
84873055189
-
-
Wiley, New York
-
W. Hehre, L. Radom, P.v.R. Schleyer, J. A. Pople, Ab Initio Molecular Orbital Theory, Wiley, New York, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
12
-
-
84944813837
-
Structure of 4,4′,5,5′-Tetranitro-2,2′-biimidazole dihydrate
-
D. T. Cromer, C. B. Storm, Structure of 4,4′,5,5′-Tetranitro- 2,2′-biimidazole Dihydrate, Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 1990, 46, 1957.
-
(1990)
Acta Crystallogr., Sect. C: Cryst. Struct. Commun.
, vol.46
, pp. 1957
-
-
Cromer, D.T.1
Storm, C.B.2
-
13
-
-
33751035038
-
Conformations and rotational barriers of 2,2′-Bi-1H-imidazole. Semiempirical, Ab initio, and density functional theory calculations
-
S. G. Cho, Y. G. Cheun, B. S. Park, Conformations and Rotational Barriers of 2,2′-Bi-1H-imidazole. Semiempirical, Ab Initio, and Density Functional Theory Calculations, J. Chem. Soc., Faraday Trans., 1997, 93, 2967.
-
(1997)
J. Chem. Soc., Faraday Trans.
, vol.93
, pp. 2967
-
-
Cho, S.G.1
Cheun, Y.G.2
Park, B.S.3
-
14
-
-
0003669046
-
-
CRC Press, Boca Raton, FL
-
P.-A. Perssen, R. Holmberg, J. Lee, Rock Blasting and Explosives Engineering, CRC Press, Boca Raton, FL, 1993.
-
(1993)
Rock Blasting and Explosives Engineering
-
-
Perssen, P.-A.1
Holmberg, R.2
Lee, J.3
-
15
-
-
84986464710
-
Nonlocal density functional calculation of gas phase heats of formation
-
D. Habibollahzadeh, M. E. Grice, M. C. Concha, J. S. Murray, P. Politzer, Nonlocal Density Functional Calculation of Gas Phase Heats of Formation, J. Comput. Chem. 1995, 16, 654.
-
(1995)
J. Comput. Chem.
, vol.16
, pp. 654
-
-
Habibollahzadeh, D.1
Grice, M.E.2
Concha, M.C.3
Murray, J.S.4
Politzer, P.5
-
16
-
-
37049075162
-
Quantitative structure-sublimation enthalpy relationship studies by neural networks, theoretical crystal packing calculations and multilinear regression analysis
-
M. H. Charlton, R. Docherty, M. G. Hutchings, Quantitative Structure-Sublimation Enthalpy Relationship Studies by Neural Networks, Theoretical Crystal Packing Calculations and Multilinear Regression Analysis, J. Chem. Soc. Perkin Trans. 2 1995, 2023.
-
(1995)
J. Chem. Soc. Perkin Trans.
, vol.2
, pp. 2023
-
-
Charlton, M.H.1
Docherty, R.2
Hutchings, M.G.3
-
17
-
-
0001410276
-
Are crystal structures predictable?
-
A. Gavezzotti, Are Crystal Structures Predictable?, Acc. Chem. Res. 1994, 27, 309.
-
(1994)
Acc. Chem. Res.
, vol.27
, pp. 309
-
-
Gavezzotti, A.1
-
18
-
-
0037423978
-
Are crystal structure predictable?
-
J. D. Dunitz, Are Crystal Structure Predictable?, Chem. Commun. 2003, 545.
-
(2003)
Chem. Commun.
, pp. 545
-
-
Dunitz, J.D.1
-
19
-
-
0003723204
-
-
Report LA-8920, Los Alamos National Laboratory, Los Alamos, NM, USA
-
J. R. Stine, Prediction of Crystal Densities of Organic Explosives by Group Additivity, Report LA-8920, 1981, Los Alamos National Laboratory, Los Alamos, NM, USA.
-
(1981)
Prediction of Crystal Densities of Organic Explosives by Group Additivity
-
-
Stine, J.R.1
-
20
-
-
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
-
H. L. Ammon, S. Mitchell, 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 1998, 23, 260.
-
(1998)
Propellants, Explos., Pyrotech
, vol.23
, pp. 260
-
-
Ammon, H.L.1
Mitchell, S.2
-
21
-
-
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-containing compounds
-
H. L. Ammon, 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-Containing Compounds, Struct. Chem. 2001, 12, 205.
-
(2001)
Struct. Chem.
, vol.12
, pp. 205
-
-
Ammon, H.L.1
-
22
-
-
0003394112
-
-
UCRL-MA-117541 Rev. 5, Lawrence Liver-more National Laboratory, Livermore, CA, USA
-
L. E. Fried, W. M. Howard, P. C. Souers, Cheetah 2.0 User's Manual, UCRL-MA-117541 Rev. 5, 1998, Lawrence Liver-more National Laboratory, Livermore, CA, USA.
-
(1998)
Cheetah 2.0 User's Manual
-
-
Fried, L.E.1
Howard, W.M.2
Souers, P.C.3
-
23
-
-
0000808656
-
Effects of strongly electron-attracting components on molecular surface electrostatic potentials: Applications to predicting impact sensitivities of energetic molecules
-
J. S. Murray, P. Lane, P. Politzer, Effects of Strongly Electron-Attracting Components on Molecular Surface Electrostatic Potentials: Applications to Predicting Impact Sensitivities of Energetic Molecules, Mol. Phys. 1998, 93, 187.
-
(1998)
Mol. Phys.
, vol.93
, pp. 187
-
-
Murray, J.S.1
Lane, P.2
Politzer, P.3
-
24
-
-
0037035164
-
A quantum mechanical investigation of the relation between impact sensitivity and the charge distribution in energetic molecules
-
B. M. Rice, J. J. Hare, A Quantum Mechanical Investigation of the Relation between Impact Sensitivity and the Charge Distribution in Energetic Molecules, J. Phys. Chem. A 2002, 106, 1770.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 1770
-
-
Rice, B.M.1
Hare, J.J.2
-
25
-
-
0000455949
-
Kinetics and mechanisms of thermal decomposition of nitroaromatics explosives
-
T. B. Brill, K. J. James, Kinetics and Mechanisms of Thermal Decomposition of Nitroaromatics Explosives, Chem. Rev. 1993, 93, 2667.
-
(1993)
Chem. Rev.
, vol.93
, pp. 2667
-
-
Brill, T.B.1
James, K.J.2
-
26
-
-
16444364680
-
-
LA-UR-89-2396, Los Alamos National Laboratory, Los Alamos, NM, USA
-
C. B. Storm, J. R. Stine, and J. F. Kramer, Sensitivity Relationships in Energetic Materials, LA-UR-89-2396, 1989, Los Alamos National Laboratory, Los Alamos, NM, USA.
-
(1989)
Sensitivity Relationships in Energetic Materials
-
-
Storm, C.B.1
Stine, J.R.2
Kramer, J.F.3
-
27
-
-
0004121971
-
-
Wiley-VCH, Weinheim, Germany, 2nd edition
-
J. Zupan, J. Gasteiger, Neural Networks in Chemistry and Drug Design, Wiley-VCH, Weinheim, Germany, 2nd edition, 1999.
-
(1999)
Neural Networks in Chemistry and Drug Design
-
-
Zupan, J.1
Gasteiger, J.2
-
28
-
-
0041171382
-
Prediction of the impact sensitivity by neural networks
-
H. Nefati, J.-M. Cense, J.-J. Legendre, Prediction of the Impact Sensitivity by Neural Networks, J. Chem. Inf. Comput. Sci. 1996, 36, 804.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 804
-
-
Nefati, H.1
Cense, J.-M.2
Legendre, J.-J.3
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