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2018 Journal Article Detecting the undetectable: the role of trace surfactant in the Jones-Ray effectDuignan, Timothy T., Peng, Mengsu, Nguyen, Anh V., Zhao, X. S., Baer, Marcel D. and Mundy, Christopher J. (2018). Detecting the undetectable: the role of trace surfactant in the Jones-Ray effect. The Journal of Chemical Physics, 149 (19) 194702, 194702. doi: 10.1063/1.5050421 |
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2018 Other Outputs Impurities Limit the Capacitance of Carbon Based SupercapacitorsDuignan, Timothy and Zhao, Xiu Song (2018). Impurities Limit the Capacitance of Carbon Based Supercapacitors. doi: 10.26434/chemrxiv.7149461.v2 |
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2018 Journal Article Cavitation energies can outperform dispersion interactionsHe, Suhang, Biedermann, Frank, Vankova, Nina, Zhechkov, Lyuben, Heine, Thomas, Hoffman, Roy E., De Simone, Alfonso, Duignan, Timothy T. and Nau, Werner M. (2018). Cavitation energies can outperform dispersion interactions. Nature Chemistry, 10 (12), 1252-1257. doi: 10.1038/s41557-018-0146-0 |
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2018 Other Outputs Impurities Limit the Capacitance of Carbon Based SupercapacitorsDuignan, Timothy and Zhao, Xiu Song (2018). Impurities Limit the Capacitance of Carbon Based Supercapacitors. doi: 10.26434/chemrxiv.7149461.v1 |
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2018 Journal Article Understanding the scale of the single ion free energy: a critical test of the tetra-phenyl arsonium and tetra-phenyl borate assumptionDuignan, Timothy T., Baer, Marcel D. and Mundy, Christopher J. (2018). Understanding the scale of the single ion free energy: a critical test of the tetra-phenyl arsonium and tetra-phenyl borate assumption. Journal of Chemical Physics, 148 (22) 222819, 1-7. doi: 10.1063/1.5020171 |
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2018 Journal Article Water lone pair delocalization in classical and quantum descriptions of the hydration of model ionsRemsing, Richard C., Duignan, Timothy T., Baer, Marcel D., Schenter, Gregory K., Mundy, Christopher J. and Weeks, John D. (2018). Water lone pair delocalization in classical and quantum descriptions of the hydration of model ions. The Journal of Physical Chemistry B, 122 (13), 3519-3527. doi: 10.1021/acs.jpcb.7b10722 |
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2017 Journal Article Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactionsDuignan, Timothy T., Baer, Marcel D., Schenter, Gregory K. and Mundy, Chistopher J. (2017). Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions. The Journal of Chemical Physics, 147 (16) 161716, 161716. doi: 10.1063/1.4994912 |
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2017 Journal Article Real single ion solvation free energies with quantum mechanical simulationDuignan, Timothy T., Baer, Marcel D., Schenter, Gregory K. and Mundy, Christopher J. (2017). Real single ion solvation free energies with quantum mechanical simulation. Chemical Science, 8 (9), 6131-6140. doi: 10.1039/c7sc02138k |
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2017 Journal Article Cation effects on haemoglobin aggregation: balance of chemisorption against physisorption of ionsParsons, Drew F., Duignan, Timothy T. and Salis, Andrea (2017). Cation effects on haemoglobin aggregation: balance of chemisorption against physisorption of ions. Interface Focus, 7 (4), 20160137. doi: 10.1098/rsfs.2016.0137 |
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2017 Journal Article Mass density fluctuations in quantum and classical descriptions of liquid waterGalib, Mirza, Duignan, Timothy T., Misteli, Yannick, Baer, Marcel D., Schenter, Gregory K., Hutter, Jürg and Mundy, Christopher J. (2017). Mass density fluctuations in quantum and classical descriptions of liquid water. The Journal of Chemical Physics, 146 (24) 244501, 244501. doi: 10.1063/1.4986284 |
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2016 Journal Article Ions interacting in solution: moving from intrinsic to collective propertiesDuignan, Timothy T., Baer, Marcel D. and Mundy, Christopher J. (2016). Ions interacting in solution: moving from intrinsic to collective properties. Current Opinion in Colloid & Interface Science, 23, 58-65. doi: 10.1016/j.cocis.2016.05.009 |
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2015 Journal Article Hydronium and hydroxide at the air-water interface with a continuum solvent modelDuignan, Timothy T., Parsons, Drew F. and Ninham, Barry W. (2015). Hydronium and hydroxide at the air-water interface with a continuum solvent model. Chemical Physics Letters, 635, 1-12. doi: 10.1016/j.cplett.2015.06.002 |
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2014 Journal Article A continuum solvent model of ion-ion interactions in waterDuignan, Timothy T., Parsons, Drew F. and Ninham, Barry W. (2014). A continuum solvent model of ion-ion interactions in water. Physical Chemistry Chemical Physics, 16 (40), 22014-22027. doi: 10.1039/c4cp02822h |
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2014 Journal Article Ion Interactions with the Air-Water Interface Using a Continuum Solvent ModelDuignan, Timothy T., Parsons, Drew F. and Ninham, Barry W. (2014). Ion Interactions with the Air-Water Interface Using a Continuum Solvent Model. Journal of Physical Chemistry B, 118 (29), 8700-8710. doi: 10.1021/jp502887e |
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2014 Journal Article Collins's rule, Hofmeister effects and ionic dispersion interactionsDuignan, Timothy T., Parsons, Drew F. and Ninham, Barry W. (2014). Collins's rule, Hofmeister effects and ionic dispersion interactions. Chemical Physics Letters, 608, 55-59. doi: 10.1016/j.cplett.2014.05.056 |
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2014 Journal Article A continuum solvent model of the partial molar volumes and entropies of ionic solvationDuignan, Timothy T., Parsons, Drew F. and Ninham, Barry W. (2014). A continuum solvent model of the partial molar volumes and entropies of ionic solvation. Journal of Physical Chemistry B, 118 (11), 3122-3132. doi: 10.1021/jp410956m |
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2013 Journal Article A continuum model of solvation energies including electrostatic, dispersion, and cavity contributionsDuignan, Timothy T., Parsons, Drew F. and Ninham, Barry W. (2013). A continuum model of solvation energies including electrostatic, dispersion, and cavity contributions. Journal of Physical Chemistry B, 117 (32), 9421-9429. doi: 10.1021/jp403596c |
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2013 Journal Article A continuum solvent model of the multipolar dispersion solvation energyDuignan, Timothy T., Parsons, Drew F. and Ninham, Barry W. (2013). A continuum solvent model of the multipolar dispersion solvation energy. Journal of Physical Chemistry B, 117 (32), 9412-9420. doi: 10.1021/jp403595x |
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2011 Journal Article Approaches to hydration, old and new: insights through Hofmeister effectsNinham, Barry W., Duignan, Timothy T. and Parsons, Drew F. (2011). Approaches to hydration, old and new: insights through Hofmeister effects. Current Opinion in Colloid & Interface Science, 16 (6), 612-617. doi: 10.1016/j.cocis.2011.04.006 |
