Vlachos DG - Search Results

1

Dynamics of the dissociation of hydrogen on stepped platinum surfaces using the ReaxFF reactive force field.

Ludwig J, Vlachos DG, van Duin AC, Goddard WA 3rd. Ludwig J, et al. Among authors: vlachos dg. J Phys Chem B. 2006 Mar 9;110(9):4274-82. doi: 10.1021/jp0561064. J Phys Chem B. 2006. PMID: 16509724

2

Silica nanoparticle formation in the TPAOH-TEOS-H2O system: a population balance model.

Provis JL, Vlachos DG. Provis JL, et al. Among authors: vlachos dg. J Phys Chem B. 2006 Feb 23;110(7):3098-108. doi: 10.1021/jp056658m. J Phys Chem B. 2006. PMID: 16494315

3

Molecular dynamics studies on the role of tetramethylammonium cations in the stability of the silica octamers Si8O20(8-) in solution.

Caratzoulas S, Vlachos DG, Tsapatsis M. Caratzoulas S, et al. Among authors: vlachos dg. J Phys Chem B. 2005 May 26;109(20):10429-34. doi: 10.1021/jp0500891. J Phys Chem B. 2005. PMID: 16852263

4

Evolution of self-assembled silica-tetrapropylammonium nanoparticles at elevated temperatures.

Rimer JD, Vlachos DG, Lobo RF. Rimer JD, et al. Among authors: vlachos dg. J Phys Chem B. 2005 Jul 7;109(26):12762-71. doi: 10.1021/jp052045y. J Phys Chem B. 2005. PMID: 16852582

5

Hierarchical multiscale mechanism development for methane partial oxidation and reforming and for thermal decomposition of oxygenates on Rh.

Mhadeshwar AB, Vlachos DG. Mhadeshwar AB, et al. Among authors: vlachos dg. J Phys Chem B. 2005 Sep 8;109(35):16819-35. doi: 10.1021/jp052479t. J Phys Chem B. 2005. PMID: 16853141

6

Ab initio molecular dynamics of hydrogen dissociation on metal surfaces using neural networks and novelty sampling.

Ludwig J, Vlachos DG. Ludwig J, et al. Among authors: vlachos dg. J Chem Phys. 2007 Oct 21;127(15):154716. doi: 10.1063/1.2794338. J Chem Phys. 2007. PMID: 17949200

7

Molecular dynamics study of the stabilization of the silica hexamer Si6O15(6-) in aqueous and methanolic solutions.

Caratzoulas S, Vlachos DG. Caratzoulas S, et al. Among authors: vlachos dg. J Phys Chem B. 2008 Jan 10;112(1):7-10. doi: 10.1021/jp7102269. Epub 2007 Dec 12. J Phys Chem B. 2008. PMID: 18072761

8

Molecular dynamics of hydrogen dissociation on an oxygen covered Pt(111) surface.

Ludwig J, Vlachos DG. Ludwig J, et al. Among authors: vlachos dg. J Chem Phys. 2008 Apr 21;128(15):154708. doi: 10.1063/1.2902981. J Chem Phys. 2008. PMID: 18433259

9

Hybrid quantum mechanics/molecular mechanics-based molecular dynamics simulation of acid-catalyzed dehydration of polyols in liquid water.

Caratzoulas S, Courtney T, Vlachos DG. Caratzoulas S, et al. Among authors: vlachos dg. J Phys Chem A. 2011 Aug 18;115(32):8816-21. doi: 10.1021/jp203436e. Epub 2011 Jul 21. J Phys Chem A. 2011. PMID: 21740014

10

Kinetic modeling of Pt-catalyzed glycolaldehyde decomposition to syngas.

Salciccioli M, Vlachos DG. Salciccioli M, et al. Among authors: vlachos dg. J Phys Chem A. 2012 May 10;116(18):4621-8. doi: 10.1021/jp3017216. Epub 2012 Apr 26. J Phys Chem A. 2012. PMID: 22483365

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