Paddison SJ - Search Results

1

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

2

Search for a Grotthuss mechanism through the observation of proton transfer.

Popov I, Zhu Z, Young-Gonzales AR, Sacci RL, Mamontov E, Gainaru C, Paddison SJ, Sokolov AP. Popov I, et al. Among authors: paddison sj. Commun Chem. 2023 Apr 22;6(1):77. doi: 10.1038/s42004-023-00878-6. Commun Chem. 2023. PMID: 37087505 Free PMC article.

3

Proton transport in triflic acid pentahydrate studied via ab initio path integral molecular dynamics.

Hayes RL, Paddison SJ, Tuckerman ME. Hayes RL, et al. Among authors: paddison sj. J Phys Chem A. 2011 Jun 16;115(23):6112-24. doi: 10.1021/jp110953a. Epub 2011 Mar 24. J Phys Chem A. 2011. PMID: 21434672

4

A Key concept in Magnesium Secondary Battery Electrolytes.

Bertasi F, Hettige C, Sepehr F, Bogle X, Pagot G, Vezzù K, Negro E, Paddison SJ, Greenbaum SG, Vittadello M, Di Noto V. Bertasi F, et al. Among authors: paddison sj. ChemSusChem. 2015 Sep 21;8(18):3069-76. doi: 10.1002/cssc.201500339. Epub 2015 Sep 2. ChemSusChem. 2015. PMID: 26333149

5

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

6

Proton transport in triflic acid hydrates studied via path integral car-parrinello molecular dynamics.

Hayes RL, Paddison SJ, Tuckerman ME. Hayes RL, et al. Among authors: paddison sj. J Phys Chem B. 2009 Dec 31;113(52):16574-89. doi: 10.1021/jp907853p. J Phys Chem B. 2009. PMID: 19968267

7

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

8

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

9

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

10

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

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