화학공학소재연구정보센터(CHERIC) | 연구정보 | 문헌DB

검색결과 : 12건

No.	Article
1	Decomposition of Condensed Phase Energetic Materials: Interplay between Uni- and Bimolecular Mechanisms Furman D, Kosloff R, Dubnikova F, Zybin SV, Goddard WA, Rom N, Hirshberg B, Zeiri Y Journal of the American Chemical Society, 136(11), 4192, 2014
2	Reactive Dynamics Study of Hypergolic Bipropellants: Monomethylhydrazine and Dinitrogen Tetroxide Liu Y, Zybin SV, Guo JQ, van Duin ACT, Goddard WA Journal of Physical Chemistry B, 116(48), 14136, 2012
3	First Principles Study of the Ignition Mechanism for Hypergolic Bipropellants: N,N,N',N'-Tetramethylethylenediamine (TMEDA) and N,N,N',N'-Tetramethylmethylenediamine (TMMDA) with Nitric Acid Liu WG, Dasgupta S, Zybin SV, Goddard WA Journal of Physical Chemistry A, 115(20), 5221, 2011
4	Density-Dependent Liquid Nitromethane Decomposition: Molecular Dynamics Simulations Based on ReaxFF Rom N, Zybin SV, van Duin ACT, Goddard WA, Zeiri Y, Katz G, Kosloff R Journal of Physical Chemistry A, 115(36), 10181, 2011
5	ReaxFF-/g: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials Liu LC, Liu Y, Zybin SV, Sun H, Goddard WA Journal of Physical Chemistry A, 115(40), 11016, 2011
6	Density Functional Theory Calculations of Solid Nitromethane under Hydrostatic and Uniaxial Compressions with Empirical van der Waals Correction Conroy MW, Oleynik II, Zybin SV, White CT Journal of Physical Chemistry A, 113(15), 3610, 2009
7	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 from ReaxFF Reactive Molecular Dynamics Simulations Zhang LZ, Zybin SV, van Duin ACT, Dasgupta S, Goddard WA, Kober EM Journal of Physical Chemistry A, 113(40), 10619, 2009
8	Thermal Decomposition of Hydrazines from Reactive Dynamics Using the ReaxFF Reactive Force Field Zhang LZ, van Duin ACT, Zybin SV, Goddard WA Journal of Physical Chemistry B, 113(31), 10770, 2009
9	Reactive Molecular Dynamics Simulations of Shock Through a Single Crystal of Pentaerythritol Tetranitrate Budzien J, Thompson AP, Zybin SV Journal of Physical Chemistry B, 113(40), 13142, 2009
10	Explanation of the Colossal Detonation Sensitivity of Silicon Pentaerythritol Tetranitrate (Si-PETN) Explosive Liu WG, Zybin SV, Dasgupta S, Klapotke TM, Goddard WA Journal of the American Chemical Society, 131(22), 7490, 2009