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Yu K, Schmidt JR. Comment on "How Well Do Metal-Organic Frameworks Tolerate Flue Gas Impurities?". Journal of Physical Chemistry C. 2013;117:3192-3192. |
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Dunnington BD, Schmidt JR, Rpenter Je JOTACSVP, Rlson Bc PRVP. Generalization of Natural Bond Orbital Analysis to Periodic Systems: Applications to Solids and Surfaces via Plane-Wave Density Functional Theory. Journal of Chemical Theory and Computation. 2012;8:1902-1911. |
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Largent RJ, Polik WF, Schmidt JR. Symmetrizer: Algorithmic determination of point groups in nearly symmetric molecules. Journal of Computational Chemistry. 2012;33:1637-1642. |
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McDaniel JG, Schmidt JR. Robust, Transferable, and Physically Motivated Force Fields for Gas Adsorption in Functionalized Zeolitic Imidazolate Frameworks. Journal of Physical Chemistry C. 2012;116:14031-14039. |
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Yu K, Kiesling K, Schmidt JR, Usa M PRBVP. Trace Flue Gas Contaminants Poison Coordinatively Unsaturated Metal-Organic Frameworks: Implications for CO2 Adsorption and Separation. Journal of Physical Chemistry C. 2012;116:20480-20488. |
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Yu K, McDaniel JG, Schmidt JR. Physically Motivated, Robust, ab Initio Force Fields for CO(2) and N(2). Journal of Physical Chemistry B. 2011;115:10054-10063. |
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Yu K, Schmidt JR. Elucidating the Crystal Face- and Hydration-Dependent Catalytic Activity of Hydrotalcites in Biodiesel Production. Journal of Physical Chemistry C. 2011;115:1887-1898. |
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Paoprasert P, Laaser JE, Xiong W, Franking RA, Hamers RJ, Zanni MT, et al. Bridge-Dependent Interfacial Electron Transfer from Rhenium-Bipyridine Complexes to TiO2 Nanocrystalline Thin Films. Journal of Physical Chemistry C. 2010;114:9898-9907. |
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Mateljevic N, Kerwin J, Roy S, Schmidt JR, Tully JC. Accommodation of Gases at Rough Surfaces. Journal of Physical Chemistry C. 2009;113:2360-2367. |
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Wei X, Herbst A, Schmidt JR, Aikent J, Li LJ. Facilitating Discovery of Prion Disease Biomarkers by Quantitative Glycoproteomics. Lc Gc North America. 2009;27:154-+. |
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Schmidt JR, Shenvi N, Tully JC. Controlling spin contamination using constrained density functional theory. Journal of Chemical Physics. 2008;129. |
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Shenvi N, Schmidt JR, Edwards ST, Tully JC. Efficient discretization of the continuum through complex contour deformation. Physical Review A. 2008;78. |
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Zwickl J, Shenvi N, Schmidt JR, Tully JC. Transition State Barriers in Multidimensional Marcus Theory. Journal of Physical Chemistry A. 2008;112:10570-10579. |
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Schmidt JR, Roberts ST, Loparo JJ, Tokmakoff A, Fayer MD, Skinner JL. Are water simulation models consistent with steady-state and ultrafast vibrational spectroscopy experiments?. Chemical Physics. 2007;341:143-157. |
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Kumar R, Schmidt JR, Skinner JL. Hydrogen bonding definitions and dynamics in liquid water. Journal of Chemical Physics. 2007;126:204107. |
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Li S, Schmidt JR, Piryatinski A, Lawrence CP, Skinner JL. Vibrational Spectral Diffusion of Azide in Water. Journal of Physical Chemistry B. 2006;110:18933-18938. |
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Li S, Schmidt JR, Skinner JL. Vibrational energy relaxation of azide in water. Journal of Chemical Physics. 2006;125:244507. |
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Schmidt JR, Corcelli SA, Skinner JL. Ultrafast vibrational spectroscopy of water and aqueous N-methylacetamide: Comparison of different electronic structure/molecular dynamics approaches. Journal of Chemical Physics. 2004;121:8887-8896. |
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Schmidt JR, Skinner JL. Brownian motion of a rough sphere and the Stokes-Einstein Law. Journal of Physical Chemistry B. 2004;108:6767-6771. |
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Schmidt JR, Skinner JL. Brownian motion of a rough sphere and the Stokes-Einstein Law. Journal of Physical Chemistry BJournal of Physical Chemistry B. 2004;108:6767-6771. |
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Schmidt JR, Skinner JL. Hydrodynamic boundary conditions, the Stokes-Einstein law, and long-time tails in the Brownian limit. Journal of Chemical Physics. 2003;119:8062-8068. |
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Schmidt JR, Sundlass N, Skinner JL. Line shapes and photon echoes within a generalized Kubo model. Chemical Physics Letters. 2003;378:559-566. |
