-
1
-
-
33947651444
-
Chemistry of Detonation. I.A Simple Method for Calculating Detonation Properties of C, H, N, O Explosives
-
Kamlet M.J., Jacobs S.J., Chemistry of Detonation. I. A Simple Method for Calculating Detonation Properties of C, H, N, O Explosives, J. Chem. Phys., 1968, 48, 23-35.
-
(1968)
J. Chem. Phys.
, vol.48
, pp. 23-35
-
-
Kamlet, M.J.1
Jacobs, S.J.2
-
2
-
-
0347912154
-
Molecular Aspects in Energetic Materials, in
-
(Liebman J.F., Greenberg A., Eds.), VCH Publishers, New York, ch. 7
-
Iyer S., Slagg N., Molecular Aspects in Energetic Materials, in: Structure and Reactivity, (Liebman J.F., Greenberg A., Eds.), VCH Publishers, New York, 1988, ch. 7.
-
(1988)
Structure and Reactivity
-
-
Iyer, S.1
Slagg, N.2
-
3
-
-
0344442702
-
Fast Molecular Processes in Energetic Materials, in
-
(Politzer P., Murray J.S, Eds.), Elsevier, Amsterdam, ch. 6
-
Dlott D.D., Fast Molecular Processes in Energetic Materials, in: Energetic Materials. Part 2. Detonation, Combustion, (Politzer P., Murray J.S, Eds.), Elsevier, Amsterdam, 2003, ch. 6, 125-191.
-
(2003)
Energetic Materials. Part 2. Detonation, Combustion
, pp. 125-191
-
-
Dlott, D.D.1
-
4
-
-
77949774167
-
-
6th ed., Wiley-VCH, Weinheim, Germany
-
Meyer R., Köhler J., Homburg A. Explosives, 6th ed., Wiley-VCH, Weinheim, Germany, 2007.
-
(2007)
Explosives
-
-
Meyer, R.1
Köhler, J.2
Homburg, A.3
-
5
-
-
84859142204
-
Some Perspectives on Estimating Detonation Properties of C, H, N, O Compounds
-
Politzer, P., Murray, J.S., Some Perspectives on Estimating Detonation Properties of C, H, N, O Compounds, Cent. Eur. J. Energ. Mater., 2011, 8(3), 209-220.
-
(2011)
Cent. Eur. J. Energ. Mater.
, vol.8
, Issue.3
, pp. 209-220
-
-
Politzer, P.1
Murray, J.S.2
-
6
-
-
84859140069
-
Studies on Empirical Approaches for Estimation of Detonation Velocity of High Explosives
-
Shekhar, H., Studies on Empirical Approaches for Estimation of Detonation Velocity of High Explosives, Cent. Eur. J. Energ. Mater., 2012, 9(1), 39-48.
-
(2012)
Cent. Eur. J. Energ. Mater.
, vol.9
, Issue.1
, pp. 39-48
-
-
Shekhar, H.1
-
8
-
-
84950432058
-
New Energetic Materials from Triazoles and Tetrazines
-
Licht H.-H., Ritter H., New Energetic Materials from Triazoles and Tetrazines, J. Energ. Mater., 1994, 12, 223-235.
-
(1994)
J. Energ. Mater.
, vol.12
, pp. 223-235
-
-
Licht, H.-H.1
Ritter, H.2
-
9
-
-
0034657498
-
3,3'-Azobis(6-amino-1,2,4,5-tetrazine): A Novel High-Nitrogen Energetic Material
-
Chavez D.E., Hiskey M.A., Gilardi R.D., 3,3'-Azobis(6-amino-1,2,4,5-tetrazine): A Novel High-Nitrogen Energetic Material, Angew. Chem. Int. Ed., 2000, 39, 1791-1793.
-
(2000)
Angew. Chem. Int. Ed.
, vol.39
, pp. 1791-1793
-
-
Chavez, D.E.1
Hiskey, M.A.2
Gilardi, R.D.3
-
10
-
-
0037170231
-
A Review of Energetic Materials Synthesis
-
Pagoria P.F., Lee G.S., Mitchell A.R., Schmidt R.D., A Review of Energetic Materials Synthesis, Thermochim. Acta, 2002, 384, 187-204.
-
(2002)
Thermochim. Acta
, vol.384
, pp. 187-204
-
-
Pagoria, P.F.1
Lee, G.S.2
Mitchell, A.R.3
Schmidt, R.D.4
-
11
-
-
2942513057
-
Progress in 1,2,3,4-Tetrazine Chemistry
-
Churakov A.M., Tartakovsky V.A., Progress in 1,2,3,4-Tetrazine Chemistry, Chem. Rev., 2004, 104, 2601-2616.
-
(2004)
Chem. Rev.
, vol.104
, pp. 2601-2616
-
-
Churakov, A.M.1
Tartakovsky, V.A.2
-
12
-
-
4644317279
-
Tetrazine Explosives
-
Chavez D.E., Hiskey M.A., Naud D.L., Tetrazine Explosives, Propellants Explos. Pyrotech., 2004, 29, 209-215.
-
(2004)
Propellants Explos. Pyrotech.
, vol.29
, pp. 209-215
-
-
Chavez, D.E.1
Hiskey, M.A.2
Naud, D.L.3
-
13
-
-
70349194929
-
Molecular Design of 1,2,4,5-TetrazineBased High-Energy Density Materials
-
Wei T., Zhu W., Zhang X., Li Y.-F., Xiao H., Molecular Design of 1,2,4,5-TetrazineBased High-Energy Density Materials, J. Phys. Chem. A, 2009, 113, 9404-9412.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 9404-9412
-
-
Wei, T.1
Zhu, W.2
Zhang, X.3
Li, Y.-F.4
Xiao, H.5
-
14
-
-
77953959621
-
Computational Study on 2,6-Diamino- 3,5-dinitropyrazine and its 1-Oxide and 1,4-Dioxide Derivatives
-
Gökçinar E., Klapötke T.M., Bellamy A.J., Computational Study on 2,6-Diamino- 3,5-dinitropyrazine and its 1-Oxide and 1,4-Dioxide Derivatives, J. Mol. Structure (Theochem), 2010, 953, 18-23.
-
(2010)
J. Mol. Structure (Theochem)
, vol.953
, pp. 18-23
-
-
Gökçinar, E.1
Klapötke, T.M.2
Bellamy, A.J.3
-
15
-
-
84880340501
-
Computational Characterization of Two Di-1,2,3,4-tetrazine Tetraoxides, DTTO and iso-DTTO, as Potential Energetic Compounds
-
Politzer P., Lane P., Murray J.S., Computational Characterization of Two Di-1,2,3,4-tetrazine Tetraoxides, DTTO and iso-DTTO, as Potential Energetic Compounds, Cent. Eur. J. Energ. Mater., 2013, 10(1), 37-52.
-
(2013)
Cent. Eur. J. Energ. Mater.
, vol.10
, Issue.1
, pp. 37-52
-
-
Politzer, P.1
Lane, P.2
Murray, J.S.3
-
16
-
-
84885903645
-
Computational Analysis of Relative Stabilities of Polyazine N-Oxides
-
DOI: 10.1007/s11224-013-0277-2
-
Politzer P., Lane P., Murray J.S., Computational Analysis of Relative Stabilities of Polyazine N-Oxides, Struct. Chem., 2013, DOI: 10.1007/s11224-013-0277-2.
-
(2013)
Struct. Chem.
-
-
Politzer, P.1
Lane, P.2
Murray, J.S.3
-
17
-
-
84885908812
-
Molecular Structure and Performance of High Explosives, in
-
(Lieberberg D.H., Armstrong R.W., Gilman J.J., Eds.), Materials Research Society, Pittsburgh, ch. 1
-
Stine J.R., Molecular Structure and Performance of High Explosives, in: Structure and Properties of Energetic Materials, (Lieberberg D.H., Armstrong R.W., Gilman J.J., Eds.), Materials Research Society, Pittsburgh, 1993, ch. 1.
-
(1993)
Structure and Properties of Energetic Materials
-
-
Stine, J.R.1
-
18
-
-
2942646531
-
Structures and Molecular Surface Electrostatic Potentials of High-Density C, N, H Systems
-
Murray J.S., Gilardi R., Grice, M.E., Lane P., Politzer P., Structures and Molecular Surface Electrostatic Potentials of High-Density C, N, H Systems, Struct. Chem., 1996, 7, 273-280.
-
(1996)
Struct. Chem.
, vol.7
, pp. 273-280
-
-
Murray, J.S.1
Gilardi, R.2
Grice, M.E.3
Lane, P.4
Politzer, P.5
-
20
-
-
1342332030
-
Azabenzenes (Azines) - The Nitrogen Derivatives of Benzene with One to Six N Atoms: Stability, Homodesmotic Stabilization Energy, Electron Distribution, and Magnetic Ring Current; A Computational Study
-
Fabian J., Lewars E., Azabenzenes (Azines) - The Nitrogen Derivatives of Benzene with One to Six N Atoms: Stability, Homodesmotic Stabilization Energy, Electron Distribution, and Magnetic Ring Current; A Computational Study, Can. J. Chem., 2004, 82, 50-69.
-
(2004)
Can. J. Chem.
, vol.82
, pp. 50-69
-
-
Fabian, J.1
Lewars, E.2
-
21
-
-
0035899746
-
Stabilization of the Pseudo- Benzene N6 Ring with Oxygen
-
Wilson K.J., Perera S.A., Bartlett R.J., Watts J.D., Stabilization of the Pseudo- Benzene N6 Ring with Oxygen, J. Phys. Chem. A, 2001, 105, 7693-7699.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 7693-7699
-
-
Wilson, K.J.1
Perera, S.A.2
Bartlett, R.J.3
Watts, J.D.4
-
22
-
-
33750957758
-
Local Aromaticity Study of Heterocycles Using n-Center Delocalization Indices: The Role of Aromaticity on the Relative Stability of Position Isomers
-
Mandado M., Otero N., Mosquera R.A., Local Aromaticity Study of Heterocycles Using n-Center Delocalization Indices: The Role of Aromaticity on the Relative Stability of Position Isomers, Tetrahedron, 2006, 62, 12204-12210.
-
(2006)
Tetrahedron
, vol.62
, pp. 12204-12210
-
-
Mandado, M.1
Otero, N.2
Mosquera, R.A.3
-
23
-
-
33745761171
-
A Theoretical Study of Polynitropyridines and Their N-Oxides
-
Li J., Huang Y., Dong H., A Theoretical Study of Polynitropyridines and Their N-Oxides, J. Energ. Mater., 2005, 23, 133-149.
-
(2005)
J. Energ. Mater.
, vol.23
, pp. 133-149
-
-
Li, J.1
Huang, Y.2
Dong, H.3
-
24
-
-
0001998551
-
Gas-Phase Ion and Neutral Thermochemistry
-
Lias S.G., Bartmess J.E., Liebman J.L., Levin R.D., Mallard W.G., Gas-Phase Ion and Neutral Thermochemistry, J. Phys. Chem. Ref. Data, 1988, 17, Suppl. No. 1.
-
(1988)
J. Phys. Chem. Ref. Data
, vol.17
, Issue.SUPPL. 1
-
-
Lias, S.G.1
Bartmess, J.E.2
Liebman, J.L.3
Levin, R.D.4
Mallard, W.G.5
-
25
-
-
0000455949
-
Kinetics and Mechanism of Thermal Decomposition of Nitroaromatic Explosives
-
Brill T.B., James K., Kinetics and Mechanism of Thermal Decomposition of Nitroaromatic Explosives, Chem. Rev., 1993, 93, 2667-2692.
-
(1993)
Chem. Rev.
, vol.93
, pp. 2667-2692
-
-
Brill, T.B.1
James, K.2
-
26
-
-
33644924547
-
Sensitivity Correlations, in: Energetic Materials. Part 2
-
(Politzer P., Murray J.S., Eds.), Elsevier, Amsterdam, ch. 1
-
Politzer P., Murray J.S., Sensitivity Correlations, in: Energetic Materials. Part 2. Detonation, Combustion, (Politzer P., Murray J.S., Eds.), Elsevier, Amsterdam, 2003, ch. 1.
-
(2003)
Detonation, Combustion
-
-
Politzer, P.1
Murray, J.S.2
-
27
-
-
34250320173
-
Sensitivities of High Energy Compounds
-
Zeman S., Sensitivities of High Energy Compounds, Struct. Bond., 2007, 125, 195-271.
-
(2007)
Struct. Bond.
, vol.125
, pp. 195-271
-
-
Zeman, S.1
-
28
-
-
61349192216
-
Links Between Surface Electrostatic Potentials of Energetic Molecules, Impact Sensitivities and C-NO2/N-NO2 Bond Dissociation Energies
-
Murray J.S., Concha M.C., Politzer P., Links Between Surface Electrostatic Potentials of Energetic Molecules, Impact Sensitivities and C-NO2/N-NO2 Bond Dissociation Energies, Mol. Phys., 2009, 107, 89-97.
-
(2009)
Mol. Phys.
, vol.107
, pp. 89-97
-
-
Murray, J.S.1
Concha, M.C.2
Politzer, P.3
-
29
-
-
84885938982
-
Some Perspectives on Sensitivity to Initiation of Detonation, in
-
(Brinck, T., Ed.), Wiley, Chichester, UK
-
Politzer P., Murray J.S., Some Perspectives on Sensitivity to Initiation of Detonation, in: Green Energetic Materials, (Brinck, T., Ed.), Wiley, Chichester, UK, 2013.
-
(2013)
Green Energetic Materials
-
-
Politzer, P.1
Murray, J.S.2
-
30
-
-
0000163713
-
Defect-Enhanced Structural Relaxation Mechanism for the Evolution of Hot Spots in Rapidly Compressed Crystals
-
Tsai D.H., Armstrong R.W., Defect-Enhanced Structural Relaxation Mechanism for the Evolution of Hot Spots in Rapidly Compressed Crystals, J. Phys. Chem.,1994, 98, 10997-11000.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 10997-11000
-
-
Tsai, D.H.1
Armstrong, R.W.2
-
31
-
-
0029732344
-
An Ab Initio Investigation of Crystalline PETN
-
Kunz A.B., An Ab Initio Investigation of Crystalline PETN, Mater. Res. Soc. Symp. Proc., 1996, 418, 287-292.
-
(1996)
Mater. Res. Soc. Symp. Proc.
, vol.418
, pp. 287-292
-
-
Kunz, A.B.1
-
32
-
-
0010366881
-
Molecular-dynamics Investigation of the Desensitization of Detonable Material
-
Rice B.M., Mattson W., Trevino S.F., Molecular-dynamics Investigation of the Desensitization of Detonable Material, Phys. Rev. E, 1998, 57, 5106-5111.
-
(1998)
Phys. Rev. E
, vol.57
, pp. 5106-5111
-
-
Rice, B.M.1
Mattson, W.2
Trevino, S.F.3
-
33
-
-
33745753088
-
Sensitivity of 2,6-Diamino-3,5-dinitropyrazine- 1-oxide
-
Tarver C.M., Urtiew P.A., Tran T.D., Sensitivity of 2,6-Diamino-3,5-dinitropyrazine- 1-oxide, J. Energ. Mater., 2005, 23, 183-203.
-
(2005)
J. Energ. Mater.
, vol.23
, pp. 183-203
-
-
Tarver, C.M.1
Urtiew, P.A.2
Tran, T.D.3
-
34
-
-
80255138875
-
Sensitivity and the Available Free Space per Molecule in the Unit Cell
-
Pospíšil M., Vávra P., Concha M.C., Murray J.S., Politzer P., Sensitivity and the Available Free Space per Molecule in the Unit Cell, J. Mol. Model., 2011, 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
-
35
-
-
84872288512
-
Stress-Induced Activation of Decomposition of Organic Explosives: A Simple Way to Understand
-
Zhang C., Stress-Induced Activation of Decomposition of Organic Explosives: A Simple Way to Understand, J. Mol. Model., 2013, 19, 477-483.
-
(2013)
J. Mol. Model.
, vol.19
, pp. 477-483
-
-
Zhang, C.1
-
36
-
-
34247210826
-
Shear-Strain-Induced Chemical Reactivity of Layered Molecular Crystals
-
Kuklja M.M., Rashkeev S.N., Shear-Strain-Induced Chemical Reactivity of Layered Molecular Crystals, Appl. Phys. Lett., 2007, 90, 151913(1-3).
-
(2007)
Appl. Phys. Lett.
, vol.90
, Issue.1-3
, pp. 151913
-
-
Kuklja, M.M.1
Rashkeev, S.N.2
-
37
-
-
77953568672
-
Synthesis and Characterization of Furazan Energetics ADAAF and DOATF
-
Veauthier J.M., Chavez D.E., Tappan B.C., Parrish D.A., Synthesis and Characterization of Furazan Energetics ADAAF and DOATF, J. Energ. Mater., 2010, 28, 229-249.
-
(2010)
J. Energ. Mater.
, vol.28
, pp. 229-249
-
-
Veauthier, J.M.1
Chavez, D.E.2
Tappan, B.C.3
Parrish, D.A.4
-
38
-
-
84868087535
-
Past, Present and Future of Thermally-Stable Explosives
-
Agrawal J.P., Past, Present and Future of Thermally-Stable Explosives, Cent. Eur. J. Energ. Mater., 2012, 9(3), 273-290.
-
(2012)
Cent. Eur. J. Energ. Mater.
, vol.9
, Issue.3
, pp. 273-290
-
-
Agrawal, J.P.1
-
39
-
-
0030568455
-
Critical Conditions for Impact- and Shock-Induced Hot Spots in Solid Explosives
-
Tarver C.M., Chidester S.K., Nichols III, A.L., Critical Conditions for Impact- and Shock-Induced Hot Spots in Solid Explosives, J. Phys. Chem., 1996, 100, 5794-5799.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 5794-5799
-
-
Tarver, C.M.1
Chidester, S.K.2
Nichols, A.L.3
-
40
-
-
1542356440
-
Theoretical Study of 1,3,4,6,7,9,9b-Heptaazaphenalene and its Ten Derivatives
-
Zheng W., Wong N.-B., Wang W., Zhou G., Tian A., Theoretical Study of 1,3,4,6,7,9,9b-Heptaazaphenalene and its Ten Derivatives, J. Phys. Chem. A, 2004, 108, 97-106.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 97-106
-
-
Zheng, W.1
Wong, N.-B.2
Wang, W.3
Zhou, G.4
Tian, A.5
-
41
-
-
11344259349
-
Tri-s-triazine and Its Nitrogen Isoelectronic Equivalents: An Ab Initio Study
-
Zheng W., Wong N.-B., Li W.-K., Tian A., Tri-s-triazine and Its Nitrogen Isoelectronic Equivalents: An Ab Initio Study, J. Phys. Chem. A, 2004, 108, 11721-11727.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 11721-11727
-
-
Zheng, W.1
Wong, N.-B.2
Li, W.-K.3
Tian, A.4
-
42
-
-
34250644425
-
Synthesis of Pyrido[2,1,6-de]quinolizine(cycl[3.3.3]azine)
-
Farquhar D., Leaver D., Synthesis of Pyrido[2,1,6-de]quinolizine(cycl[3.3.3]azine), Chem. Commun., 1969, 24-25.
-
(1969)
Chem. Commun.
, pp. 24-25
-
-
Farquhar, D.1
Leaver, D.2
-
43
-
-
37049099328
-
Heterocyclic Compounds with Bridgehead Nitrogen Atoms. Part V. Pyrido[2,1,6-de]quinolizines(cycl[3.3.3]azines)
-
Farquhar D., Gough T.T., Leaver D., Heterocyclic Compounds with Bridgehead Nitrogen Atoms. Part V. Pyrido[2,1,6-de]quinolizines(cycl[3.3.3]azines), J. Chem. Soc., Perkins Trans. 1, 1976, 341-355.
-
(1976)
J. Chem. Soc., Perkins Trans.
, vol.1
, pp. 341-355
-
-
Farquhar, D.1
Gough, T.T.2
Leaver, D.3
-
44
-
-
0021429785
-
Tri-s-triazine: Synthesis, Chemical Behavior, and Spectroscopic and Theoretical Probes of Valence Orbital Structure
-
Shahbaz M., Urano S., LeBreton P.R., Rossman M.A., Hosmane R.S., Leonard N.J., Tri-s-triazine: Synthesis, Chemical Behavior, and Spectroscopic and Theoretical Probes of Valence Orbital Structure, J. Am. Chem. Soc. 1984, 106, 2805-2811.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 2805-2811
-
-
Shahbaz, M.1
Urano, S.2
LeBreton, P.R.3
Rossman, M.A.4
Hosmane, R.S.5
Leonard, N.J.6
-
45
-
-
0042388623
-
Melem (2,5,8-Triamino-tri-s-triazine), An Important Intermediate during Condensation of Melamine Rings to Graphitic Carbon Nitride: Synthesis, Structure Determination by X-Ray Powder Diffractometry, Solid-State NMR, and Theoretical Studies
-
Jürgens B., Irran E., Senker J.; Kroll P., Müller H., Schnick W., Melem (2,5,8-Triamino-tri-s-triazine), An Important Intermediate during Condensation of Melamine Rings to Graphitic Carbon Nitride: Synthesis, Structure Determination by X-Ray Powder Diffractometry, Solid-State NMR, and Theoretical Studies, J. Am. Chem. Soc., 2003, 125, 10288-10300.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 10288-10300
-
-
Jürgens, B.1
Irran, E.2
Senker, J.3
Kroll, P.4
Müller, H.5
Schnick, W.6
-
46
-
-
0000266853
-
The Structure of Cyameluric Acid, Hydromelonic Acid, and Related Substances
-
Pauling L., Sturdivant J.H., The Structure of Cyameluric Acid, Hydromelonic Acid, and Related Substances, Proc. Natl. Acad. Sci. USA, 1937, 23, 615.
-
(1937)
Proc. Natl. Acad. Sci. USA
, vol.23
, pp. 615
-
-
Pauling, L.1
Sturdivant, J.H.2
-
47
-
-
1642489466
-
A Prized Collection: Pauling Memorabilia
-
Wilson E.K., A Prized Collection: Pauling Memorabilia, Chem. Eng. News, 2000, 78(32), 62-63.
-
(2000)
Chem. Eng. News
, vol.78
, Issue.32
, pp. 62-63
-
-
Wilson, E.K.1
-
48
-
-
84885895353
-
-
paulingblog.wordpress.com
-
-
-
-
49
-
-
0000638592
-
Synthesis and Structure of Tri-striazine
-
Hosmane R.S., Rossman M.A., Leonard N.J., Synthesis and Structure of Tri-striazine, J. Am. Chem. Soc., 1982, 104, 5497-5499.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 5497-5499
-
-
Hosmane, R.S.1
Rossman, M.A.2
Leonard, N.J.3
-
50
-
-
35948951233
-
Accurate Predictions of Crystal Densities Using Quantum Mechanical Molecular Volumes
-
Rice B.M., Hare J.J., Byrd E.F.C., Accurate Predictions of Crystal Densities Using Quantum Mechanical Molecular Volumes, J. Phys. Chem. A, 2007, 111, 10874-10879.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 10874-10879
-
-
Rice, B.M.1
Hare, J.J.2
Byrd, E.F.C.3
-
51
-
-
84555189608
-
Design and Density Functional Theoretical Study of Three Novel Pyrazine-Based High-Energy Density Compounds
-
Lai W.-P., Lian P., Yu T., Chang H.-B., Xue Y.-Q., Design and Density Functional Theoretical Study of Three Novel Pyrazine-Based High-Energy Density Compounds, Comput. Theor. Chem., 2011, 963, 221-226.
-
(2011)
Comput. Theor. Chem.
, vol.963
, pp. 221-226
-
-
Lai, W.-P.1
Lian, P.2
Yu, T.3
Chang, H.-B.4
Xue, Y.-Q.5
-
52
-
-
70349448483
-
An Electrostatic Interaction Correction for Improved Crystal Density Predictions
-
Politzer P., Martínez J., Murray J.S., Concha M.C., Toro-Labbé A., An Electrostatic Interaction Correction for Improved Crystal Density Predictions, Mol. Phys., 2009, 107, 2095-2101.
-
(2009)
Mol. Phys.
, vol.107
, pp. 2095-2101
-
-
Politzer, P.1
Martínez, J.2
Murray, J.S.3
Concha, M.C.4
Toro-Labbé, A.5
-
53
-
-
0001533554
-
Statistical Analysis of the Molecular Surface Electrostatic Potential: An Approach to Describing Noncovalent Interactions in Condensed Phases
-
Politzer P., Murray J.S., Statistical Analysis of the Molecular Surface Electrostatic Potential: An Approach to Describing Noncovalent Interactions in Condensed Phases, J. Mol. Struct. (Theochem), 1998, 425, 107-114.
-
(1998)
J. Mol. Struct. (Theochem)
, vol.425
, pp. 107-114
-
-
Politzer, P.1
Murray, J.S.2
-
54
-
-
33847045589
-
Crystal Density Predictions for Nitramines Based on Quantum Chemistry
-
Qiu L., Xiao H., Gong X., Ju X., Zhu W., Crystal Density Predictions for Nitramines Based on Quantum Chemistry, J. Hazard. Mater., 2007, 141, 280-288.
-
(2007)
J. Hazard. Mater.
, vol.141
, pp. 280-288
-
-
Qiu, L.1
Xiao, H.2
Gong, X.3
Ju, X.4
Zhu, W.5
-
55
-
-
34247545016
-
Computer Simulations and Analysis of Structural and Energetic Features of Some Crystalline Energetic Materials
-
Eckhardt C.J., Gavezzotti A., Computer Simulations and Analysis of Structural and Energetic Features of Some Crystalline Energetic Materials, J. Phys. Chem. B, 2007, 111, 3430-3437.
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 3430-3437
-
-
Eckhardt, C.J.1
Gavezzotti, A.2
-
56
-
-
0004060458
-
-
2nd ed., CRC Press, Boca Raton, FL
-
Mader C.L., Numerical Modeling of Explosives and Propellants, 2nd ed., CRC Press, Boca Raton, FL, 1998.
-
(1998)
Numerical Modeling of Explosives and Propellants
-
-
Mader, C.L.1
-
57
-
-
84986464710
-
Nonlocal Density Functional Calculation of Gas Phase Heats of Formation
-
Habibollahzadeh D., Grice M.E., Concha M.C., Murray J.S., Politzer P., Nonlocal Density Functional Calculation of Gas Phase Heats of Formation, J. Comput. Chem., 1995, 16, 654-658.
-
(1995)
J. Comput. Chem.
, vol.16
, pp. 654-658
-
-
Habibollahzadeh, D.1
Grice, M.E.2
Concha, M.C.3
Murray, J.S.4
Politzer, P.5
-
58
-
-
33644509240
-
Improved Prediction of Heats of Formation of Energetic Materials Using Quantum Chemical Calculations
-
erratum: 2009, 113, 5813
-
Byrd E.F.C., Rice B.M., Improved Prediction of Heats of Formation of Energetic Materials Using Quantum Chemical Calculations, J. Phys. Chem. A, 2006, 110, 1005-1013; erratum: 2009, 113, 5813.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 1005-1013
-
-
Byrd, E.F.C.1
Rice, B.M.2
-
59
-
-
0000414624
-
Calculation of Heats of Sublimation and Solid Phase Heats of Formation
-
Politzer P., Murray J.S., Grice M.E., DeSalvo M., Miller E., Calculation of Heats of Sublimation and Solid Phase Heats of Formation, Mol. Phys., 1997, 91, 923-928.
-
(1997)
Mol. Phys.
, vol.91
, pp. 923-928
-
-
Politzer, P.1
Murray, J.S.2
Grice, M.E.3
DeSalvo, M.4
Miller, E.5
-
60
-
-
0035370878
-
Important Aspects of Behavior of Organic Energetic Compounds: A Review
-
Sikder A.K., Maddala G., Agrawal J.P., Singh H., Important Aspects of Behavior of Organic Energetic Compounds: A Review, J. Hazard. Mater., 2001, A84, 1-26.
-
(2001)
J. Hazard. Mater.
, vol.A84
, pp. 1-26
-
-
Sikder, A.K.1
Maddala, G.2
Agrawal, J.P.3
Singh, H.4
-
61
-
-
4744340399
-
Polyazide High-Nitrogen Compounds: Hydrazo- and Azo-1,3,5-triazine
-
Huynh M.-H. V., Hiskey M.A., Hartline E.L., Montoya D.P., Gilardi R., Polyazide High-Nitrogen Compounds: Hydrazo- and Azo-1,3,5-triazine, Angew. Chem. Int. Ed., 2004, 43, 4924-4928.
-
(2004)
Angew. Chem. Int. Ed.
, vol.43
, pp. 4924-4928
-
-
Huynh, M.-H.V.1
Hiskey, M.A.2
Hartline, E.L.3
Montoya, D.P.4
Gilardi, R.5
-
63
-
-
0037035164
-
A Quantum Mechanical Investigation of the Relation Between Impact Sensitivity and the Charge Distribution in Energetic Molecules
-
Rice B.M., Hare J.J., A Quantum Mechanical Investigation of the Relation Between Impact Sensitivity and the Charge Distribution in Energetic Molecules, J. Phys. Chem. A, 2002, 106, 1770-1783.
-
(2002)
J. Phys. Chem. A
, vol.106
-
-
Rice, B.M.1
Hare, J.J.2
-
64
-
-
1642536348
-
New Aspects of Impact Reactivity of Polynitro Compounds, Part III. Impact Sensitivity as a Function of the Intermolecular Interactions
-
Zeman S., Krupka M., New Aspects of Impact Reactivity of Polynitro Compounds, Part III. Impact Sensitivity as a Function of the Intermolecular Interactions, Propellants Explos. Pyrotech., 2003, 28, 301-307.
-
(2003)
Propellants Explos. Pyrotech.
, vol.28
, pp. 301-307
-
-
Zeman, S.1
Krupka, M.2
-
65
-
-
84863145288
-
Effects of Additives on e-HNIW Crystal Morphology and Impact Sensitivity
-
Chen H., Li L., Jin S., Chen S., Jiao Q., Effects of Additives on e-HNIW Crystal Morphology and Impact Sensitivity, Propellants Explos. Pyrotech., 2012, 37, 77-82.
-
(2012)
Propellants Explos. Pyrotech.
, vol.37
, pp. 77-82
-
-
Chen, H.1
Li, L.2
Jin, S.3
Chen, S.4
Jiao, Q.5
-
66
-
-
0000240114
-
On the Mapping of Electrostatic Properties from Bragg Diffraction Data
-
Stewart R.F., On the Mapping of Electrostatic Properties from Bragg Diffraction Data, Chem. Phys. Lett., 1979, 65, 335-342.
-
(1979)
Chem. Phys. Lett.
, vol.65
, pp. 335-342
-
-
Stewart, R.F.1
-
68
-
-
0036026620
-
The Fundamental Nature and Role of the Electrostatic Potential in Atoms and Molecules
-
Politzer P., Murray J.S., The Fundamental Nature and Role of the Electrostatic Potential in Atoms and Molecules, Theor. Chem. Acc., 2002, 108, 134-142.
-
(2002)
Theor. Chem. Acc.
, vol.108
, pp. 134-142
-
-
Politzer, P.1
Murray, J.S.2
-
69
-
-
80052545919
-
The Electrostatic Potential: an Overview
-
Murray J.S., Politzer P., The Electrostatic Potential: an Overview, WIREs Comp. Mol. Sci., 2011, 1, 153-163.
-
(2011)
WIREs Comp. Mol. Sci.
, vol.1
, pp. 153-163
-
-
Murray, J.S.1
Politzer, P.2
-
70
-
-
0000808656
-
Effects of Strongly Electron-attracting Components in Molecular Surface Electrostatic Potentials; Application to Predicting Impact Sensitivities of Energetic Molecules
-
Murray J.S., Lane P., Politzer P., Effects of Strongly Electron-attracting Components in Molecular Surface Electrostatic Potentials; Application to Predicting Impact Sensitivities of Energetic Molecules, Mol. Phys., 1998, 93, 187-194.
-
(1998)
Mol. Phys.
, vol.93
, pp. 187-194
-
-
Murray, J.S.1
Lane, P.2
Politzer, P.3
-
71
-
-
0542415700
-
Relationships between Impact Sensitivities and Molecular Surface Electrostatic Potentials of Nitroaromatic and Nitroheterocyclic Molecules
-
Murray J.S., Lane P., Politzer P., Relationships between Impact Sensitivities and Molecular Surface Electrostatic Potentials of Nitroaromatic and Nitroheterocyclic Molecules, Mol. Phys., 1995, 85, 1-8.
-
(1995)
Mol. Phys.
, vol.85
, pp. 1-8
-
-
Murray, J.S.1
Lane, P.2
Politzer, P.3
-
72
-
-
0141494484
-
Synthesis, Structure, Molecular Orbital and Valence Bond Calculations for Tetrazole Azide, CHN7
-
Hammerl A., Klapötke T.M., Nöth H., Warchhold M., Synthesis, Structure, Molecular Orbital and Valence Bond Calculations for Tetrazole Azide, CHN7, Propellants Explos. Pyrotech., 2003, 28, 165-173.
-
(2003)
Propellants Explos. Pyrotech.
, vol.28
, pp. 165-173
-
-
Hammerl, A.1
Klapötke, T.M.2
Nöth, H.3
Warchhold, M.4
-
73
-
-
23844441928
-
Synthesis, Structure, Molecular Orbital Calculations and Decomposition Mechanism for Tetrazolylazide CHN7, its Phenyl Derivative PhCN7 and Tetrazolylpentazole CHN9
-
Hammerl A., Klapötke T.M., Mayer P., Weigand J.J., Synthesis, Structure, Molecular Orbital Calculations and Decomposition Mechanism for Tetrazolylazide CHN7, its Phenyl Derivative PhCN7 and Tetrazolylpentazole CHN9, Propellants Explos. Pyrotech., 2005, 30, 17-26.
-
(2005)
Propellants Explos. Pyrotech.
, vol.30
, pp. 17-26
-
-
Hammerl, A.1
Klapötke, T.M.2
Mayer, P.3
Weigand, J.J.4
-
74
-
-
84862733192
-
Synthesis and Reactivity of an Unexpected Highly Sensitive 1-Carboxymethyl-3-diazonio-5-nitrimino-1,2,4-triazole
-
Klapötke T.M., Nordheiter A., Stierstorfer J., Synthesis and Reactivity of an Unexpected Highly Sensitive 1-Carboxymethyl-3-diazonio-5-nitrimino-1,2,4-triazole, New J. Chem., 2012, 36, 1463-1468.
-
(2012)
New J. Chem.
, vol.36
, pp. 1463-1468
-
-
Klapötke, T.M.1
Nordheiter, A.2
Stierstorfer, J.3
-
75
-
-
77957863625
-
Quantitative Analysis of Molecular Surfaces: Areas, Volumes, Electrostatic Potentials and Average Local Ionization Energies
-
Bulat F.A., Toro-Labbé A., Brinck T., Murray J.S., Politzer P., Quantitative Analysis of Molecular Surfaces: Areas, Volumes, Electrostatic Potentials and Average Local Ionization Energies, J. Mol. Model., 2010, 16, 1679-1691.
-
(2010)
J. Mol. Model.
, vol.16
, pp. 1679-1691
-
-
Bulat, F.A.1
Toro-Labbé, A.2
Brinck, T.3
Murray, J.S.4
Politzer, P.5
-
76
-
-
0001104390
-
Microwave Spectra of [13C] and [15N] Pyridine N-oxides and a Preliminary Ring Structure
-
Snerling O., Nielsen C.J., Nygaard L., Pedersen E.J., Sorensen G.O., Microwave Spectra of [13C] and [15N] Pyridine N-oxides and a Preliminary Ring Structure, J. Mol. Struct., 1975, 27, 205-211.
-
(1975)
J. Mol. Struct.
, vol.27
, pp. 205-211
-
-
Snerling, O.1
Nielsen, C.J.2
Nygaard, L.3
Pedersen, E.J.4
Sorensen, G.O.5
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