Coe JD - Search Results

1

Intermolecular stabilization of 3,3'-diamino-4,4'-azoxyfurazan (DAAF) compressed to 20 GPa.

Chellappa RS, Dattelbaum DM, Coe JD, Velisavljevic N, Stevens LL, Liu Z. Chellappa RS, et al. Among authors: coe jd. J Phys Chem A. 2014 Aug 7;118(31):5969-82. doi: 10.1021/jp504935g. Epub 2014 Jul 23. J Phys Chem A. 2014. PMID: 25011055

2

1,1-Diamino-2,2-dinitroethylene under high pressure-temperature.

Bishop MM, Chellappa RS, Pravica M, Coe J, Liu Z, Dattlebaum D, Vohra Y, Velisavljevic N. Bishop MM, et al. J Chem Phys. 2012 Nov 7;137(17):174304. doi: 10.1063/1.4759448. J Chem Phys. 2012. PMID: 23145728

3

Shock-Driven Decomposition of Polymers and Polymeric Foams.

Dattelbaum DM, Coe JD. Dattelbaum DM, et al. Among authors: coe jd. Polymers (Basel). 2019 Mar 13;11(3):493. doi: 10.3390/polym11030493. Polymers (Basel). 2019. PMID: 30960477 Free PMC article.

4

Shockwave compression and dissociation of ammonia gas.

Dattelbaum DM, Lang JM, Goodwin PM, Gibson LL, Gammel WP, Coe JD, Ticknor C, Leiding JA. Dattelbaum DM, et al. Among authors: coe jd. J Chem Phys. 2019 Jan 14;150(2):024305. doi: 10.1063/1.5063012. J Chem Phys. 2019. PMID: 30646697

5

Carbon clusters formed from shocked benzene.

Dattelbaum DM, Watkins EB, Firestone MA, Huber RC, Gustavsen RL, Ringstrand BS, Coe JD, Podlesak D, Gleason AE, Lee HJ, Galtier E, Sandberg RL. Dattelbaum DM, et al. Among authors: coe jd. Nat Commun. 2021 Sep 1;12(1):5202. doi: 10.1038/s41467-021-25471-0. Nat Commun. 2021. PMID: 34471110 Free PMC article.

6

Ab initio molecular dynamics of excited-state intramolecular proton transfer using multireference perturbation theory.

Coe JD, Levine BG, Martínez TJ. Coe JD, et al. J Phys Chem A. 2007 Nov 8;111(44):11302-10. doi: 10.1021/jp072027b. Epub 2007 Jun 29. J Phys Chem A. 2007. PMID: 17602455

7

Diamond and methane formation from the chemical decomposition of polyethylene at high pressures and temperatures.

Watkins EB, Huber RC, Childs CM, Salamat A, Pigott JS, Chow P, Xiao Y, Coe JD. Watkins EB, et al. Among authors: coe jd. Sci Rep. 2022 Jan 12;12(1):631. doi: 10.1038/s41598-021-04206-7. Sci Rep. 2022. PMID: 35022446 Free PMC article.

8

Optimal sampling efficiency in Monte Carlo simulation with an approximate potential.

Coe JD, Sewell TD, Shaw MS. Coe JD, et al. J Chem Phys. 2009 Apr 28;130(16):164104. doi: 10.1063/1.3116788. J Chem Phys. 2009. PMID: 19405558

9

Nested Markov chain Monte Carlo sampling of a density functional theory potential: equilibrium thermodynamics of dense fluid nitrogen.

Coe JD, Sewell TD, Shaw MS. Coe JD, et al. J Chem Phys. 2009 Aug 21;131(7):074105. doi: 10.1063/1.3200904. J Chem Phys. 2009. PMID: 19708730

10

An efficient approach to ab initio Monte Carlo simulation.

Leiding J, Coe JD. Leiding J, et al. Among authors: coe jd. J Chem Phys. 2014 Jan 21;140(3):034106. doi: 10.1063/1.4855755. J Chem Phys. 2014. PMID: 25669362

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