Found 10 results
Filters: Author is Yu, Kuang [Clear All Filters]
Insights into the Anomalous Vibrational Frequency Shifts of CO2 Adsorbed to Metal Sites in Microporous Frameworks. Journal of Physical Chemistry C. 119(10):5293–5300.
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2015. Transferable Next-Generation Force Fields from Simple Liquids to Complex Materials. Accounts of Chemical Research. 48(3):548–556.
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2015. Comment on “How Well Do Metal–Organic Frameworks Tolerate Flue Gas Impurities?” The Journal of Physical Chemistry C. 117(6):3192-3192.
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2013. Microscopic Origins of Enhanced Gas Adsorption and Selectivity in Mixed-Linker Metal-Organic Frameworks. The Journal of Physical Chemistry C. 117(33):17131-17142.
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2013. An efficient multi-scale lattice model approach to screening nano-porous adsorbents. The Journal of Chemical Physics. 137(24):244102.
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2012. Many-body effects are essential in a physically motivated CO2 force field. The Journal of Chemical Physics. 136(3):034503.
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2012. Trace Flue Gas Contaminants Poison Coordinatively Unsaturated Metal-Organic Frameworks: Implications for CO2 Adsorption and Separation. The Journal of Physical Chemistry C. 116(38):20480–20488.
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2012. Ab Initio, Physically Motivated Force Fields for CO2 Adsorption in Zeolitic Imidazolate Frameworks. The Journal of Physical Chemistry B. 116(2):1892-1903.
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2011. Elucidating the Crystal Face- and Hydration-Dependent Catalytic Activity of Hydrotalcites in Biodiesel Production. The Journal of Physical Chemistry C. 115(5):1887-1898.
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2011. Physically-motivated, robust, ab initio force fields for CO2 and N2. The Journal of Physical Chemistry B. 115(33):10054-10063.
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2011.