Zybin SV - Search Results

1

High-Energy-Density Material with Magnetically Modulated Ignition.

Allen JE, Zybin SV, Morozov SI, O'Sullivan OT, Kawamura C, Waxler DE, Hooper JP, Goddard Iii WA, Zdilla MJ. Allen JE, et al. Among authors: zybin sv. J Am Chem Soc. 2024 Feb 21;146(7):4500-4507. doi: 10.1021/jacs.3c10621. Epub 2024 Feb 8. J Am Chem Soc. 2024. PMID: 38330246

2

ReaxFF-lg: correction of the ReaxFF reactive force field for London dispersion, with applications to the equations of state for energetic materials.

Liu L, Liu Y, Zybin SV, Sun H, Goddard WA 3rd. Liu L, et al. Among authors: zybin sv. J Phys Chem A. 2011 Oct 13;115(40):11016-22. doi: 10.1021/jp201599t. Epub 2011 Sep 21. J Phys Chem A. 2011. PMID: 21888351

3

Reactive molecular dynamics simulations of shock through a single crystal of pentaerythritol tetranitrate.

Budzien J, Thompson AP, Zybin SV. Budzien J, et al. Among authors: zybin sv. J Phys Chem B. 2009 Oct 8;113(40):13142-51. doi: 10.1021/jp9016695. J Phys Chem B. 2009. PMID: 19791817 Free article.

4

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. Conroy MW, et al. Among authors: zybin sv. J Phys Chem A. 2009 Apr 16;113(15):3610-4. doi: 10.1021/jp809843k. J Phys Chem A. 2009. PMID: 19320444

5

Predicting solid-state heats of formation of newly synthesized polynitrogen materials by using quantum mechanical calculations.

Abou-Rachid H, Song Y, Hu A, Dudiy S, Zybin SV, Goddard WA 3rd. Abou-Rachid H, et al. Among authors: zybin sv. J Phys Chem A. 2008 Nov 20;112(46):11914-20. doi: 10.1021/jp8026644. Epub 2008 Oct 29. J Phys Chem A. 2008. PMID: 18956853

6

Molecular dynamics simulations of weak detonations.

Am-Shallem M, Zeiri Y, Zybin SV, Kosloff R. Am-Shallem M, et al. Among authors: zybin sv. 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

7

Atomistic Characterization of Stochastic Cavitation of a Binary Metallic Liquid under Negative Pressure.

An Q, Garrett G, Samwer K, Liu Y, Zybin SV, Luo SN, Demetriou MD, Johnson WL, Goddard WA 3rd. An Q, et al. Among authors: zybin sv. J Phys Chem Lett. 2011 Jun 2;2(11):1320-3. doi: 10.1021/jz200351m. Epub 2011 May 16. J Phys Chem Lett. 2011. PMID: 26295428

8

Explanation of the colossal detonation sensitivity of silicon pentaerythritol tetranitrate (Si-PETN) explosive.

Liu WG, Zybin SV, Dasgupta S, Klapötke TM, Goddard WA 3rd. Liu WG, et al. Among authors: zybin sv. J Am Chem Soc. 2009 Jun 10;131(22):7490-1. doi: 10.1021/ja809725p. J Am Chem Soc. 2009. PMID: 19489634 Free article.

9

Interface Structure in Li-Metal/[Pyr₁₄][TFSI]-Ionic Liquid System from ab Initio Molecular Dynamics Simulations.

Merinov BV, Zybin SV, Naserifar S, Morozov S, Oppenheim J, Goddard WA 3rd, Lee J, Lee JH, Han HE, Choi YC, Kim SH. Merinov BV, et al. Among authors: zybin sv. J Phys Chem Lett. 2019 Aug 15;10(16):4577-4586. doi: 10.1021/acs.jpclett.9b01515. Epub 2019 Jul 31. J Phys Chem Lett. 2019. PMID: 31344329

10

Li-diffusion at the interface between Li-metal and [Pyr₁₄][TFSI]-ionic liquid: Ab initio molecular dynamics simulations.

Merinov BV, Naserifar S, Zybin SV, Morozov S, Goddard WA 3rd, Lee J, Lee JH, Han HE, Choi YC, Kim SH. Merinov BV, et al. Among authors: zybin sv. J Chem Phys. 2020 Jan 21;152(3):031101. doi: 10.1063/1.5132566. J Chem Phys. 2020. PMID: 31968966

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