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| 1 | Identification of destabilized metal hydrides for hydrogen storage using first principles calculations 显示文摘 | Alapati S V Johnson J K Sholl D S | 2006 | J Phys Chem B2006，110，17： | 1 |
| 2 | Adsorption and diffusion of carbon dioxide and nitrogen through single - walled carbon nanotube membranes 显示文摘 | Skoulidas A I Sholl D S Johnson J K | 2006 | J Chem Phys2006，124，05： | 1 |
| 3 | Transport diffusivities of CH4, CF4, He, Ne, Ar, Xe, and SF6 in silicalite from atomistic simulations 显示文摘 | SKOULIDAS A I SHOLL D S | 2002 | Journal of Physical Chemistry B2002，106，19： | 1 |
| 4 | Identification of destabilized metal hydrides for hydrogen storage using first principles calculations显示文摘 | Alapati S V Johnson J K Sholl D S | 2006 | J Phys Chem B2006，110，17： | 1 |
| 5 | Self-diffusion and transport diffusion of light gases in metal-organic framework materials assessed using molecular dynamics simulations 显示文摘 | SKOULIDAS A I SHOLL D S | 2005 | Journal of Physical Chemistry B2005，109，15： | 1 |
| 6 | Making high- flux membranes with carbon nanotubes 显示文摘 | Sholl D S and Johnson J K | 2006 | Science2006，312，： | 1 |
| 7 | Density functional theory studies of sulfur binding on Pd,Cu,and Ag and their alloys 显示文摘 | Alfonso D R Cugini A V Sholl D | 2003 | Surf Sci2003，546，1： | 1 |
| 8 | Screening metal - organic framework materials for membrane - based methane/carbon dioxide separations 显示文摘 | Keskin S Sholl D S | 2007 | The Journal of Physical Chemistry C2007，111，14： | 1 |
| 9 | Assessment of a metal?organic framework membrane for gas separations using atomically detailed calculations: CO2, CH4, N2,H2 mixtures in MOF- 5 显示文摘 | Keskin S Sholl D S | 2008 | Industrial & Engineering Chemistry Research2008，48，2： | 1 |
| 10 | Assessment of a metal-organic framework membrane for gas separations using atomically detailed calculations: CO2, CH4, N2, Hz mixtures in MOF-5显示文摘 | KESKIN S SHOLL D S | 2009 | Ind Eng Chem Res2009，48，2： | 1 |
| 11 | Atomistic simulations of CO, and N2 adsorption in silica zeolites: the impact of pore size and shape显示文摘 | Goj A Sholl D S Akten E D Kohen D | 2002 | J Phys Chem B2002，106，33： | 1 |
| 12 | Can metal-organic framework materials play a useful role in large-scale carbon dioxide separations?显示文摘 | Keskin S van Heest T M Sholl D S | 2010 | ChemSusChem2010，3，： | 1 |
| 13 | Nucleation of Rh, (n= 1-5) clus- ters on γ-Al2O3 surfaces: A density functional theory study显示文摘 | Shi X R Sholl D S | 2012 | The Journal of Physical Chemistry C2012，116，10： | 1 |
| 14 | 显示文摘 | SKOULIDAS A I SHOLL D S JOHNSON J K | 2006 | J Chem Phys2006，124，05： | 1 |
| 15 | Large-scale screening of metal hydride mixtures for high-capacity hydrogen storage from first-principles calculations显示文摘 | Alapati S V Johnson J K Sholl D S | 2008 | J Phys Chem C2008，112，14： | 1 |
| 16 | Atomically detailed simulation of surface resistances to transport of CH4,CF4,and C2H6 through silicalite membranes显示文摘 | Newsom D A Sholl D S | 2008 | Microporous and Mesoporous Materials2008，107，3： | 1 |
| 17 | Dif-fusivities of Ar and Ne in carbon nanotubes显示文摘 | Ackerman D M Skoulidas A I Sholl D S | 2003 | Mo-lecular Simulation2003，29，1011： | 1 |
| 18 | Correlation effects in diffusion of CH4/CF4 mixtures in MFI zeolite:a study linking MD simulations with the maxwell-stefan formulation显示文摘 | Skoulidas A I Sholl D S Krishna R | 2003 | Langmuir2003，19，19： | 1 |
| 19 | MATERIALS SCIENCE:Making High-Flux Membranes with Carbon Nanotubes显示文摘 | Sholl D S | 2006 | Science2006，312，5776： | 1 |
| 20 | Transport Diffusivities of CH4,CF4,He,Ne,Ar,Xe and SF6 in Silicalite from Atomistic Simulations显示文摘 | Skoulidas A I Sholl D S | 2002 | Journal of Physical Chemistry B2002，106，19： | 1 |
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