| ReaxFF-lg: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials L Liu, Y Liu, SV Zybin, H Sun, WA Goddard III The Journal of Physical Chemistry A 115 (40), 11016-11022, 2011 | 512 | 2011 |
| Carbon cluster formation during thermal decomposition of octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine and 1, 3, 5-triamino-2, 4, 6-trinitrobenzene high explosives … L Zhang, SV Zybin, ACT Van Duin, S Dasgupta, WA Goddard III, ... The Journal of Physical Chemistry A 113 (40), 10619-10640, 2009 | 316 | 2009 |
| Decomposition of condensed phase energetic materials: interplay between uni-and bimolecular mechanisms D Furman, R Kosloff, F Dubnikova, SV Zybin, WA Goddard III, N Rom, ... Journal of the American Chemical Society 136 (11), 4192-4200, 2014 | 156 | 2014 |
| Density-dependent liquid nitromethane decomposition: molecular dynamics simulations based on ReaxFF N Rom, SV Zybin, ACT Van Duin, WA Goddard III, Y Zeiri, G Katz, ... The Journal of Physical Chemistry A 115 (36), 10181-10202, 2011 | 146 | 2011 |
| Reactive molecular dynamics simulations of shock through a single crystal of pentaerythritol tetranitrate J Budzien, AP Thompson, SV Zybin The Journal of Physical Chemistry B 113 (40), 13142-13151, 2009 | 140 | 2009 |
| Thermal decomposition of hydrazines from reactive dynamics using the ReaxFF reactive force field L Zhang, ACT Duin, SV Zybin, WA Goddard Iii The Journal of Physical Chemistry B 113 (31), 10770-10778, 2009 | 120 | 2009 |
| Physical mechanism of anisotropic sensitivity in pentaerythritol tetranitrate from compressive-shear reaction dynamics simulations SV Zybin, WA Goddard, P Xu, ACT Van Duin, AP Thompson Applied Physics Letters 96 (8), 2010 | 118 | 2010 |
| Shock wave structure in Lennard-Jones crystal via molecular dynamics VV Zhakhovskiĭ, SV Zybin, K Nishihara, SI Anisimov Physical review letters 83 (6), 1175, 1999 | 115 | 1999 |
| Elucidation of the dynamics for hot-spot initiation at nonuniform interfaces of highly shocked materials Q An, SV Zybin, WA Goddard III, A Jaramillo-Botero, M Blanco, SN Luo Physical Review B 84 (22), 220101, 2011 | 114 | 2011 |
| Initial steps of thermal decomposition of dihydroxylammonium 5, 5′-bistetrazole-1, 1′-diolate crystals from quantum mechanics Q An, WG Liu, WA Goddard III, T Cheng, SV Zybin, H Xiao The Journal of Physical Chemistry C 118 (46), 27175-27181, 2014 | 111 | 2014 |
| The co-crystal of TNT/CL-20 leads to decreased sensitivity toward thermal decomposition from first principles based reactive molecular dynamics D Guo, Q An, SV Zybin, WA Goddard III, F Huang, B Tang Journal of Materials Chemistry A 3 (10), 5409-5419, 2015 | 108 | 2015 |
| Anisotropic shock sensitivity for β-octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine energetic material under compressive-shear loading from ReaxFF-lg reactive dynamics … T Zhou, SV Zybin, Y Liu, F Huang, WA Goddard Journal of Applied Physics 111 (12), 2012 | 101 | 2012 |
| Highly shocked polymer bonded explosives at a nonplanar interface: Hot-spot formation leading to detonation Q An, WA Goddard III, SV Zybin, A Jaramillo-Botero, T Zhou The Journal of Physical Chemistry C 117 (50), 26551-26561, 2013 | 97 | 2013 |
| Anisotropic shock sensitivity of cyclotrimethylene trinitramine (RDX) from compress-and-shear reactive dynamics Q An, Y Liu, SV Zybin, H Kim, WA Goddard III The Journal of Physical Chemistry C 116 (18), 10198-10206, 2012 | 84 | 2012 |
| Compressive shear reactive molecular dynamics studies indicating that cocrystals of TNT/CL-20 decrease sensitivity D Guo, Q An, WA Goddard III, SV Zybin, F Huang The Journal of Physical Chemistry C 118 (51), 30202-30208, 2014 | 82 | 2014 |
| Anisotropic impact sensitivity and shock induced plasticity of TKX-50 (dihydroxylammonium 5, 5′-bis (tetrazole)-1, 1′-diolate) single crystals: from large-scale molecular … Q An, T Cheng, WA Goddard III, SV Zybin The Journal of Physical Chemistry C 119 (4), 2196-2207, 2015 | 79 | 2015 |
| First-principles-based reaction kinetics for decomposition of hot, dense liquid TNT from ReaxFF multiscale reactive dynamics simulations N Rom, B Hirshberg, Y Zeiri, D Furman, SV Zybin, WA Goddard III, ... The Journal of Physical Chemistry C 117 (41), 21043-21054, 2013 | 75 | 2013 |
| Modeling high rate impact sensitivity of perfect RDX and HMX crystals by ReaxFF reactive dynamics L Zhang, SV Zybin, ACT Van Duin, WA Goddard III Journal of Energetic Materials 28 (S1), 92-127, 2010 | 64 | 2010 |
| Explanation of the colossal detonation sensitivity of silicon pentaerythritol tetranitrate (Si-PETN) explosive WG Liu, SV Zybin, S Dasgupta, TM Klapötke, WA Goddard III Journal of the American Chemical Society 131 (22), 7490-7491, 2009 | 59 | 2009 |
| First-principles anisotropic constitutive relationships in β-cyclotetramethylene tetranitramine (β-HMX) MW Conroy, II Oleynik, SV Zybin, CT White Journal of Applied Physics 104 (5), 2008 | 57 | 2008 |
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