Kober EM - Search Results

1

Thermal decomposition of RDX from reactive molecular dynamics.

Strachan A, Kober EM, van Duin AC, Oxgaard J, Goddard WA. Strachan A, et al. Among authors: kober em. J Chem Phys. 2005 Feb 1;122(5):54502. doi: 10.1063/1.1831277. J Chem Phys. 2005. PMID: 15740334

2

Simulations on the thermal decomposition of a poly(dimethylsiloxane) polymer using the ReaxFF reactive force field.

Chenoweth K, Cheung S, van Duin AC, Goddard WA 3rd, Kober EM. Chenoweth K, et al. Among authors: kober em. J Am Chem Soc. 2005 May 18;127(19):7192-202. doi: 10.1021/ja050980t. J Am Chem Soc. 2005. PMID: 15884961 Free article.

3

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 L, Zybin SV, van Duin AC, Dasgupta S, Goddard WA 3rd, Kober EM. Zhang L, et al. Among authors: kober em. J Phys Chem A. 2009 Oct 8;113(40):10619-40. doi: 10.1021/jp901353a. J Phys Chem A. 2009. PMID: 19791809

4

Unsupervised Learning-Based Multiscale Model of Thermochemistry in 1,3,5-Trinitro-1,3,5-triazinane (RDX).

Sakano MN, Hamed A, Kober EM, Grilli N, Hamilton BW, Islam MM, Koslowski M, Strachan A. Sakano MN, et al. Among authors: kober em. J Phys Chem A. 2020 Nov 5;124(44):9141-9155. doi: 10.1021/acs.jpca.0c07320. Epub 2020 Oct 28. J Phys Chem A. 2020. PMID: 33112131

5

Parallel replica dynamics simulations of reactions in shock compressed liquid benzene.

Martínez E, Perriot R, Kober EM, Bowlan P, Powell M, McGrane S, Cawkwell MJ. Martínez E, et al. Among authors: kober em. J Chem Phys. 2019 Jun 28;150(24):244108. doi: 10.1063/1.5092209. J Chem Phys. 2019. PMID: 31255087

6

Probing ultrafast shock-induced chemistry in liquids using broad-band mid-infrared absorption spectroscopy.

Bowlan P, Powell M, Perriot R, Martinez E, Kober EM, Cawkwell MJ, McGrane S. Bowlan P, et al. Among authors: kober em. J Chem Phys. 2019 May 28;150(20):204503. doi: 10.1063/1.5092242. J Chem Phys. 2019. PMID: 31153201

7

A novel method for static equation-of state-development: equation of state of a cross-linked poly(dimethylsiloxane) (PDMS) network to 10 GPa.

Dattelbaum DM, Jensen JD, Schwendt AM, Kober EM, Lewis MW, Menikoff R. Dattelbaum DM, et al. Among authors: kober em. J Chem Phys. 2005 Apr 8;122(14):144903. doi: 10.1063/1.1879872. J Chem Phys. 2005. PMID: 15847561

8

Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters.

Manner VW, Cawkwell MJ, Kober EM, Myers TW, Brown GW, Tian H, Snyder CJ, Perriot R, Preston DN. Manner VW, et al. Among authors: kober em. Chem Sci. 2018 Mar 9;9(15):3649-3663. doi: 10.1039/c8sc00903a. eCollection 2018 Apr 21. Chem Sci. 2018. PMID: 29780495 Free PMC article.

9

A molecular dynamics simulation study of the pressure-volume-temperature behavior of polymers under high pressure.

Hooper JB, Bedrov D, Smith GD, Hanson B, Borodin O, Dattelbaum DM, Kober EM. Hooper JB, et al. Among authors: kober em. J Chem Phys. 2009 Apr 14;130(14):144904. doi: 10.1063/1.3077868. J Chem Phys. 2009. PMID: 19368468

10

Electric double-layer structure in primitive model electrolytes: comparing molecular dynamics with local-density approximations.

Giera B, Henson N, Kober EM, Shell MS, Squires TM. Giera B, et al. Among authors: kober em. Langmuir. 2015 Mar 24;31(11):3553-62. doi: 10.1021/la5048936. Epub 2015 Mar 10. Langmuir. 2015. PMID: 25723189

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