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Transport in proton conductors for fuel-cell applications: simulations, elementary reactions, and phenomenology.
Kreuer KD, Paddison SJ, Spohr E, Schuster M. Kreuer KD, et al. Among authors: paddison sj. Chem Rev. 2004 Oct;104(10):4637-78. doi: 10.1021/cr020715f. Chem Rev. 2004. PMID: 15669165 No abstract available.
The mechanism of proton conduction in phosphoric acid.
VilĨiauskas L, Tuckerman ME, Bester G, Paddison SJ, Kreuer KD. VilĨiauskas L, et al. Among authors: paddison sj. Nat Chem. 2012 Apr 22;4(6):461-6. doi: 10.1038/nchem.1329. Nat Chem. 2012. PMID: 22614380
Ab initio modeling of proton transfer in phosphoric acid clusters.
Vilciauskas L, Paddison SJ, Kreuer KD. Vilciauskas L, et al. Among authors: paddison sj. J Phys Chem A. 2009 Aug 13;113(32):9193-201. doi: 10.1021/jp903005r. J Phys Chem A. 2009. PMID: 19569665
Ab initio simulations of the effects of nanoscale confinement on proton transfer in hydrophobic environments.
Habenicht BF, Paddison SJ. Habenicht BF, et al. Among authors: paddison sj. J Phys Chem B. 2011 Sep 22;115(37):10826-35. doi: 10.1021/jp205787f. Epub 2011 Aug 25. J Phys Chem B. 2011. PMID: 21830811
Effect of Sulfuric and Triflic Acids on the Hydration of Vanadium Cations: An ab Initio Study.
Sepehr F, Paddison SJ. Sepehr F, et al. Among authors: paddison sj. J Phys Chem A. 2015 Jun 4;119(22):5749-61. doi: 10.1021/acs.jpca.5b01794. Epub 2015 May 18. J Phys Chem A. 2015. PMID: 25954916
Ab initio molecular dynamics simulations of water and an excess proton in water confined in carbon nanotubes.
Clark JK 2nd, Paddison SJ. Clark JK 2nd, et al. Among authors: paddison sj. Phys Chem Chem Phys. 2014 Sep 7;16(33):17756-69. doi: 10.1039/c4cp00415a. Phys Chem Chem Phys. 2014. PMID: 25030323
Side chain flexibility in perfluorosulfonic acid ionomers: an ab initio study.
Clark JK 2nd, Paddison SJ. Clark JK 2nd, et al. Among authors: paddison sj. J Phys Chem A. 2013 Oct 10;117(40):10534-43. doi: 10.1021/jp407568d. Epub 2013 Sep 27. J Phys Chem A. 2013. PMID: 24041417
Hydration and proton transfer in highly sulfonated poly(phenylene sulfone) ionomers: an ab initio study.
Wang C, Paddison SJ. Wang C, et al. Among authors: paddison sj. J Phys Chem A. 2013 Jan 24;117(3):650-60. doi: 10.1021/jp310354p. Epub 2013 Jan 11. J Phys Chem A. 2013. PMID: 23286778
A comparative ab initio study of the primary hydration and proton dissociation of various imide and sulfonic acid ionomers.
Clark JK 2nd, Paddison SJ, Eikerling M, Dupuis M, Zawodzinski TA Jr. Clark JK 2nd, et al. Among authors: paddison sj. J Phys Chem A. 2012 Feb 23;116(7):1801-13. doi: 10.1021/jp209822k. Epub 2012 Feb 9. J Phys Chem A. 2012. PMID: 22276670
Comparison of the hydration and diffusion of protons in perfluorosulfonic acid membranes with molecular dynamics simulations. scui@utk.edu.
Cui S, Liu J, Selvan ME, Paddison SJ, Keffer DJ, Edwards BJ. Cui S, et al. Among authors: paddison sj. J Phys Chem B. 2008 Oct 23;112(42):13273-84. doi: 10.1021/jp8039803. Epub 2008 Oct 1. J Phys Chem B. 2008. PMID: 18826266
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