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2016 Journal Article Ion-responsive 19F MRI contrast agents for the detection of cancer cellsZhang, Cheng, Moonshi, Shehzahdi Shebbrin, Peng, Hui, Puttick, Simon, Reid, James, Bernardi, Stefano, Bernhardt, Debra J. and Whittaker, Andrew K. (2016). Ion-responsive 19F MRI contrast agents for the detection of cancer cells. ACS Sensors, 1 (6), 757-765. doi: 10.1021/acssensors.6b00216 |
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2016 Journal Article Effect of carbon chain length of organic salts on the thermodynamic stability of methane hydrateSu, Yuan, Bernardi, Stefano, Searles, Debra J. and Wang, Liguang (2016). Effect of carbon chain length of organic salts on the thermodynamic stability of methane hydrate. Journal of Chemical and Engineering Data, 61 (5), 1952-1960. doi: 10.1021/acs.jced.6b00185 |
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2016 Journal Article Reversible hydrogen uptake by BN and BC3 monolayers functionalized with small Fe clusters: a route to effective energy storageHussain, Tanveer, Searles, Debra J. and Takahashi, Keisuke (2016). Reversible hydrogen uptake by BN and BC3 monolayers functionalized with small Fe clusters: a route to effective energy storage. Journal of Physical Chemistry A, 120 (12), 2009-2013. doi: 10.1021/acs.jpca.5b12739 |
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2016 Journal Article Interaction of Al, Ti, and Cu atoms with boron nitride nanotubes: a computational investigationRohmann, Christoph, Sun, Qiao and Searles, Debra J. (2016). Interaction of Al, Ti, and Cu atoms with boron nitride nanotubes: a computational investigation. Journal of Physical Chemistry C, 120 (6), 3509-3518. doi: 10.1021/acs.jpcc.5b10698 |
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2016 Journal Article Anion assisted synthesis of large pore hollow dendritic mesoporous organosilica nanoparticles: understanding the composition gradientYang, Yannan, Bernardi, Stefano, Song, Hao, Zhang, Jun, Yu, Meihua, Reid, James C., Strounina, Ekaterina, Searles, Debra J. and Yu, Chengzhong (2016). Anion assisted synthesis of large pore hollow dendritic mesoporous organosilica nanoparticles: understanding the composition gradient. Chemistry of Materials, 28 (3), 704-707. doi: 10.1021/acs.chemmater.5b03963 |
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2016 Journal Article Conformation transitions of thermoresponsive dendronized polymers across the lower critical solution temperatureZhang, Cheng, Peng, Hui, Li, Wen, Liu, Lianxiao, Puttick, Simon, Reid, James, Bernardi, Stefano, Searles, Debra J., Zhang, Afang and Whittaker, Andrew K. (2016). Conformation transitions of thermoresponsive dendronized polymers across the lower critical solution temperature. Macromolecules, 49 (3), 900-908. doi: 10.1021/acs.macromol.5b02414 |
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2016 Book Fundamentals of Classical Statistical Thermodynamics: Dissipation, Relaxation, and Fluctuation TheoremsEvans, Denis James, Searles, Debra Joy and Williams, Stephen Rodney (2016). Fundamentals of Classical Statistical Thermodynamics: Dissipation, Relaxation, and Fluctuation Theorems. Weinheim, Germany: Wiley-VCH. |
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2016 Journal Article Local response in nanoporesBernardi, Stefano and Searles, Debra J. (2016). Local response in nanopores. Molecular Simulation, 42 (6-7), 463-473. doi: 10.1080/08927022.2015.1049174 |
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2016 Conference Publication Phase Equilibria and Gas Storage Capacity of Clathrate Hydrates of Methane + Quaternary Ammonium SaltsSu, Yuan, Bernardi, Stefano, Searles, Debra J. and Wang, Liguang (2016). Phase Equilibria and Gas Storage Capacity of Clathrate Hydrates of Methane + Quaternary Ammonium Salts. Chemeca Conference, Adelaide, Australia, 25-28 September 2016. Melbourne, Australia: Engineers Australia. |
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2016 Journal Article Lithium storage on carbon nitride, graphenylene and inorganic graphenyleneHankel, Marlies and Searles, Debra J. (2016). Lithium storage on carbon nitride, graphenylene and inorganic graphenylene. Physical Chemistry Chemical Physics, 18 (21), 14205-14215. doi: 10.1039/c5cp07356a |
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2015 Journal Article Computational Studies of the Interaction of Carbon Dioxide with Graphene-Supported Titanium DioxideFischer, Julia M.T.A., Hankel, Marlies and Searles, Debra J. (2015). Computational Studies of the Interaction of Carbon Dioxide with Graphene-Supported Titanium Dioxide. Journal of Physical Chemistry C, 119 (52), 29044-29051. doi: 10.1021/acs.jpcc.5b10692 |
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2015 Journal Article Understanding the Origin of Li2MnO3 Activation in Li-Rich Cathode Materials for Lithium-Ion BatteriesYe, Delai, Zeng, Guang, Nogita, Kazuhiro, Ozawa, Kiyoshi, Hankel, Marlies, Searles, Debra J and Wang, Lianzhou (2015). Understanding the Origin of Li2MnO3 Activation in Li-Rich Cathode Materials for Lithium-Ion Batteries. Advanced Functional Materials, 25 (48), 7488-7496. doi: 10.1002/adfm.201503276 |
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2015 Journal Article Lithium and sodium storage on graphitic carbon nitrideHankel, Marlies, Ye, Delai, Wang, Lianzhou and Searles, Debra J. (2015). Lithium and sodium storage on graphitic carbon nitride. Journal of Physical Chemistry C, 119 (38), 21921-21927. doi: 10.1021/acs.jpcc.5b07572 |
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2015 Journal Article Water diffusion in zeolite membranes: molecular dynamics studies on effects of water loading and thermostatHan, Kuk Nam, Bernardi, Stefano, Wang, Lianzhou and Searles, Debra J. (2015). Water diffusion in zeolite membranes: molecular dynamics studies on effects of water loading and thermostat. Journal of Membrane Science, 495, 322-333. doi: 10.1016/j.memsci.2015.08.033 |
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2015 Journal Article Conformation of Hydrophobically Modified Thermoresponsive Poly(OEGMA-co-TFEA) across the LCST Revealed by NMR and Molecular Dynamics StudiesZhang, Cheng, Peng, Hui, Puttick, Simon, Reid, James, Bernardi, Stefano, Searles, Debra J. and Whittaker, Andrew K. (2015). Conformation of Hydrophobically Modified Thermoresponsive Poly(OEGMA-co-TFEA) across the LCST Revealed by NMR and Molecular Dynamics Studies. Macromolecules, 48 (10), 3310-3317. doi: 10.1021/acs.macromol.5b00641 |
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2015 Journal Article System size effects on calculation of the viscosity of extended moleculesBernardi, Stefano, Brookes, Sarah J. and Searles, Debra J. (2015). System size effects on calculation of the viscosity of extended molecules. Chemical Engineering Science, 121, 236-244. doi: 10.1016/j.ces.2014.08.040 |
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2015 Conference Publication The Conformation of Hydrophobically-Modified Thermo-responsive Polymers of Poly (OEGMA-co-TFEA)Zhang, Cheng , Reid, James , Bernardi, Stefano , Bernhardt, Debra , Peng, Hui and Whittaker, Andrew (2015). The Conformation of Hydrophobically-Modified Thermo-responsive Polymers of Poly (OEGMA-co-TFEA). 35th Australasian Polymer Symposium, Gold Coast, QLD, Australia, 12-15 July 2015. |
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2014 Journal Article Sieving of H2 and D2 through end-to-end nanotubesDasgupta, Devagnik, Searles, Debra J., Rondoni, Lamberto and Bernardi, Stefano (2014). Sieving of H2 and D2 through end-to-end nanotubes. Communications in Theoretical Physics, 62 (4), 541-549. doi: 10.1088/0253-6102/62/4/11 |
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2014 Journal Article Electronic coupling and catalytic effect on H 2 evolution of MoS 2 /graphene nanocatalystLiao, Ting, Sun, Ziqi, Sun, Chenghua, Dou, Shi Xue and Searles, Debra J. (2014). Electronic coupling and catalytic effect on H 2 evolution of MoS 2 /graphene nanocatalyst. Scientific Reports, 4 (1) 6256, 6256.1-6256.7. doi: 10.1038/srep06256 |
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2014 Journal Article A computational study of carbon dioxide adsorption on solid boronSun, Qiao, Wang, Meng, Li, Zhen, Du, Aijun and Searles, Debra J. (2014). A computational study of carbon dioxide adsorption on solid boron. Physical Chemistry Chemical Physics, 16 (25), 12695-12702. doi: 10.1039/c4cp00044g |
