Browsing by Author D'Arcy, Jordan Harry

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Issue DateTitleAuthor(s)Citation
2015H2 adsorption in a porous crystal: Accurate first-principles quantum simulationD'Arcy, Jordan Harry; Jordan, Meredith; Collins, Michael A; Frankcombe, Terry J.; Chemistry; ChemistryH2 adsorption in a porous crystal: Accurate first-principles quantum simulation, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.119, 50, 2015,pp 12166-12181
2015Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materialsD'Arcy, Jordan Harry; Jordan, Meredith; Kolmann, Joshua Stephen; Lindoy, Lachlan Peter Jacl; Crittenden, Deborah L.; Chemistry; Chemistry; Chemistry; ChemistryPath integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials, Journal of Chemical Physics, vol.143, 19, 2015,pp 194302-1-194302-10
2015"Plug-and-play" potentials: Investigating quantum effects in (H2)2-Li+-benzeneD'Arcy, Jordan Harry; Jordan, Meredith; Kolmann, Joshua Stephen; Chemistry; Chemistry; Chemistry"Plug-and-play" potentials: Investigating quantum effects in (H2)2-Li+-benzene, Journal of Chemical Physics, vol.143, 7, 2015,pp 074311-1-074311-12