Kosloff R - Search Results

1

Atomistic-scale simulations of the initial chemical events in the thermal initiation of triacetonetriperoxide.

van Duin AC, Zeiri Y, Dubnikova F, Kosloff R, Goddard WA 3rd. van Duin AC, et al. Among authors: kosloff r. J Am Chem Soc. 2005 Aug 10;127(31):11053-62. doi: 10.1021/ja052067y. J Am Chem Soc. 2005. PMID: 16076213

2

Decomposition of triacetone triperoxide is an entropic explosion.

Dubnikova F, Kosloff R, Almog J, Zeiri Y, Boese R, Itzhaky H, Alt A, Keinan E. Dubnikova F, et al. Among authors: kosloff r. J Am Chem Soc. 2005 Feb 2;127(4):1146-59. doi: 10.1021/ja0464903. J Am Chem Soc. 2005. PMID: 15669854

3

Decomposition of condensed phase energetic materials: interplay between uni- and bimolecular mechanisms.

Furman D, Kosloff R, Dubnikova F, Zybin SV, Goddard WA 3rd, Rom N, Hirshberg B, Zeiri Y. Furman D, et al. Among authors: kosloff r. J Am Chem Soc. 2014 Mar 19;136(11):4192-200. doi: 10.1021/ja410020f. Epub 2014 Mar 6. J Am Chem Soc. 2014. PMID: 24495109 Free article.

4

Direct MD Simulations of Terahertz Absorption and 2D Spectroscopy Applied to Explosive Crystals.

Katz G, Zybin S, Goddard WA 3rd, Zeiri Y, Kosloff R. Katz G, et al. Among authors: kosloff r. J Phys Chem Lett. 2014 Mar 6;5(5):772-6. doi: 10.1021/jz402801m. Epub 2014 Feb 11. J Phys Chem Lett. 2014. PMID: 26274066

5

Abstractive dissociation of oxygen over Al(111): a nonadiabatic quantum model.

Katz G, Kosloff R, Zeiri Y. Katz G, et al. Among authors: kosloff r. J Chem Phys. 2004 Feb 22;120(8):3931-48. doi: 10.1063/1.1635360. J Chem Phys. 2004. PMID: 15268559

6

Density-dependent liquid nitromethane decomposition: molecular dynamics simulations based on ReaxFF.

Rom N, Zybin SV, van Duin AC, Goddard WA 3rd, Zeiri Y, Katz G, Kosloff R. Rom N, et al. Among authors: kosloff r. J Phys Chem A. 2011 Sep 15;115(36):10181-202. doi: 10.1021/jp202059v. Epub 2011 Aug 24. J Phys Chem A. 2011. PMID: 21812413

7

Role of metal ions in the destruction of TATP: theoretical considerations.

Dubnikova F, Kosloff R, Oxley JC, Smith JL, Zeiri Y. Dubnikova F, et al. Among authors: kosloff r. J Phys Chem A. 2011 Sep 29;115(38):10565-75. doi: 10.1021/jp2021616. Epub 2011 Sep 1. J Phys Chem A. 2011. PMID: 21838283

8

Mechanism of thermal unimolecular decomposition of TNT (2,4,6-trinitrotoluene): a DFT study.

Cohen R, Zeiri Y, Wurzberg E, Kosloff R. Cohen R, et al. Among authors: kosloff r. J Phys Chem A. 2007 Nov 1;111(43):11074-83. doi: 10.1021/jp072121s. Epub 2007 Oct 4. J Phys Chem A. 2007. PMID: 17915836

9

Time-dependent quantum wave-packet description of H and D atom tunneling in N-H and N-D photodissociation of methylamine and methylamine-d2.

Levi C, Kosloff R, Zeiri Y, Bar I. Levi C, et al. Among authors: kosloff r. J Chem Phys. 2009 Aug 14;131(6):064302. doi: 10.1063/1.3204000. J Chem Phys. 2009. PMID: 19691383

10

Molecular dynamics simulations of weak detonations.

Am-Shallem M, Zeiri Y, Zybin SV, Kosloff R. Am-Shallem M, et al. Among authors: kosloff r. Phys Rev E Stat Nonlin Soft Matter Phys. 2011 Dec;84(6 Pt 1):061122. doi: 10.1103/PhysRevE.84.061122. Epub 2011 Dec 12. Phys Rev E Stat Nonlin Soft Matter Phys. 2011. PMID: 22304055

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