Computational Modeling and Simulation of CO2 Capture by Aqueous Amines
Yang, Xin, Rees, Robert J, Conway, William, Puxty, Graeme, Yang, Qi, Winkler, David A
Published in Chemical reviews (26.07.2017)
Published in Chemical reviews (26.07.2017)
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Lithium-sulfur batteries-the solution is in the electrolyte, but is the electrolyte a solution?
Barghamadi, Marzieh, Best, Adam S, Bhatt, Anand I, Hollenkamp, Anthony F, Musameh, Mustafa, Rees, Robert J, Rüther, Thomas
Published in Energy & environmental science (01.01.2014)
Published in Energy & environmental science (01.01.2014)
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A molecular dynamics simulation study of LiFePO4/electrolyte interfaces: structure and Li+ transport in carbonate and ionic liquid electrolytes
SMITH, Grant D, BORODIN, Oleg, RUSSO, Salvy P, REES, Robert J, HOLLENKAMP, Anthony F
Published in Physical chemistry chemical physics : PCCP (01.01.2009)
Published in Physical chemistry chemical physics : PCCP (01.01.2009)
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Study of the Initial Stage of Solid Electrolyte Interphase Formation upon Chemical Reaction of Lithium Metal and N‑Methyl‑N‑Propyl-Pyrrolidinium-Bis(Fluorosulfonyl)Imide
Budi, Akin, Basile, Andrew, Opletal, George, Hollenkamp, Anthony F, Best, Adam S, Rees, Robert J, Bhatt, Anand I, O’Mullane, Anthony P, Russo, Salvy P
Published in Journal of physical chemistry. C (20.09.2012)
Published in Journal of physical chemistry. C (20.09.2012)
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How Dirhodium Catalyst Controls the Enantioselectivity of [3 + 2]-Cycloaddition between Nitrone and Vinyldiazoacetate: A Density Functional Theory Study
Yang, Xin, Yang, Yongsheng, Rees, Robert J, Yang, Qi, Tian, Zhiyue, Xue, Ying
Published in Journal of organic chemistry (02.09.2016)
Published in Journal of organic chemistry (02.09.2016)
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Journal Article
Computational Modeling and Simulation of CO 2 Capture by Aqueous Amines
Yang, Xin, Rees, Robert J, Conway, William, Puxty, Graeme, Yang, Qi, Winkler, David A
Published in Chemical reviews (26.07.2017)
Published in Chemical reviews (26.07.2017)
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Journal Article
Predicting properties of new ionic liquids: density functional theory and experimental studies of tetra-alkylammonium salts of (thio)carboxylate anions, RCO2⁻, RCOS⁻ and RCS2
Rees, Robert J, Lane, George H, Hollenkamp, Anthony F, Best, Adam S
Published in Physical chemistry chemical physics : PCCP (14.06.2011)
Published in Physical chemistry chemical physics : PCCP (14.06.2011)
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Topological characterization of crystallization of gold nanoclusters
Chui, Yu Hang, Rees, Robert J, Snook, Ian K, O'Malley, B, Russo, Salvy P
Published in The Journal of chemical physics (21.09.2006)
Published in The Journal of chemical physics (21.09.2006)
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Impact of distributions and mixtures on the charge transfer properties of graphene nanoflakesElectronic supplementary information (ESI) available: Details of computational simulations and specific results. Comparison of the expectation values of quality factors for ensemble properties based on different statistical distributions. See DOI: 10.1039/c4nr06123c
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Predicting properties of new ionic liquids: density functional theory and experimental studies of tetra-alkylammonium salts of (thio)carboxylate anions, RCO2―, RCOS― and RCS2: Multiscale modelling
REES, Robert J, LANE, George H, HOLLENKAMP, Anthony F, BEST, Adam S
Published in Physical chemistry chemical physics : PCCP (2011)
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Published in Physical chemistry chemical physics : PCCP (2011)
Journal Article
Study of the Initial Stage of Solid Electrolyte Interphase Formation upon Chemical Reaction of Lithium Metal and N-Methyl-N-Propyl-Pyrrolidinium-Bis(Fluorosulfonyl)lmide
BUDI, Akin, BASILE, Andrew, OPLETAL, George, HOFLENKAMP, Anthony F, BEST, Adam S, REES, Robert J, BHATT, Anand I, O'MULLANE, Anthony P, RUSSO, Salvy P
Published in Journal of physical chemistry. C (2012)
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Published in Journal of physical chemistry. C (2012)
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