Gavartin J - Search Results

1

Drug Aggregation of Sparingly-Soluble Ionizable Drugs: Molecular Dynamics Simulations of Papaverine and Prostaglandin F2α.

Skrdla PJ, Coscia BJ, Gavartin J, Browning A, Shelley J. Skrdla PJ, et al. Among authors: gavartin j. Mol Pharm. 2023 Oct 2;20(10):5135-5147. doi: 10.1021/acs.molpharmaceut.3c00429. Epub 2023 Sep 6. Mol Pharm. 2023. PMID: 37671526

2

Complexation Mechanisms of Aqueous Amylose: Molecular Dynamics Study Using 3-Pentadecylphenol.

Skrdla PJ, Coscia BJ, Gavartin J, Browning A, Shelley J, Sanders JM. Skrdla PJ, et al. Among authors: gavartin j. Mol Pharm. 2024 Jul 1;21(7):3540-3552. doi: 10.1021/acs.molpharmaceut.4c00235. Epub 2024 Jun 20. Mol Pharm. 2024. PMID: 38900044

3

Exploring fuel cell cathode materials using ab initio high throughput calculations and validation using carbon supported Pt alloy catalysts.

Sarwar M, Gavartin JL, Martinez Bonastre A, Garcia Lopez S, Thompsett D, Ball SC, Krzystala A, Goldbeck G, French SA. Sarwar M, et al. Among authors: gavartin jl. Phys Chem Chem Phys. 2020 Mar 14;22(10):5902-5914. doi: 10.1039/d0cp00301h. Epub 2020 Feb 28. Phys Chem Chem Phys. 2020. PMID: 32109268

4

Predicting drug substances autoxidation.

Lienard P, Gavartin J, Boccardi G, Meunier M. Lienard P, et al. Among authors: gavartin j. Pharm Res. 2015 Jan;32(1):300-10. doi: 10.1007/s11095-014-1463-7. Epub 2014 Aug 13. Pharm Res. 2015. PMID: 25115828

5

Structural, electronic and vibrational properties of tetragonal zirconia under pressure: a density functional theory study.

Milman V, Perlov A, Refson K, Clark SJ, Gavartin J, Winkler B. Milman V, et al. Among authors: gavartin j. J Phys Condens Matter. 2009 Dec 2;21(48):485404. doi: 10.1088/0953-8984/21/48/485404. Epub 2009 Nov 6. J Phys Condens Matter. 2009. PMID: 21832518

6

Atomistic mesh generation for the simulation of nanoscale metal-oxide-semiconductor field-effect transistors.

Aldegunde M, Seoane N, García-Loureiro AJ, Sushko PV, Shluger AL, Gavartin JL, Kalna K, Asenov A. Aldegunde M, et al. Among authors: gavartin jl. Phys Rev E Stat Nonlin Soft Matter Phys. 2008 May;77(5 Pt 2):056702. doi: 10.1103/PhysRevE.77.056702. Epub 2008 May 8. Phys Rev E Stat Nonlin Soft Matter Phys. 2008. PMID: 18643190

7

Theoretical prediction of intrinsic self-trapping of electrons and holes in monoclinic HfO2.

Muñoz Ramo D, Shluger AL, Gavartin JL, Bersuker G. Muñoz Ramo D, et al. Among authors: gavartin jl. Phys Rev Lett. 2007 Oct 12;99(15):155504. doi: 10.1103/PhysRevLett.99.155504. Epub 2007 Oct 12. Phys Rev Lett. 2007. PMID: 17995181

8

Chemisorption of HCl to the MgO(001) surface: a DFT study.

Markmann A, Gavartin JL, Shluger AL. Markmann A, et al. Among authors: gavartin jl. Phys Chem Chem Phys. 2006 Oct 7;8(37):4359-67. doi: 10.1039/b608719a. Epub 2006 Aug 22. Phys Chem Chem Phys. 2006. PMID: 16986079

9

Quantum dots as dynamical systems.

Gavartin JL, Stoneham AM. Gavartin JL, et al. Philos Trans A Math Phys Eng Sci. 2003 Feb 15;361(1803):275-89; discussion 290. doi: 10.1098/rsta.2002.1128. Philos Trans A Math Phys Eng Sci. 2003. PMID: 12639383

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