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    title = "Molecular Dynamics Studies of Atomistically Determined Fibrillar Assemblies: Comparison of the Rippled β-Sheet, Pleated β-Sheet, and Herringbone Structures",
    journal = "Journal of Physical Chemistry Letters",
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    title = "Functional Group-Dependent Proton Conductivity of Phosphoric Acid-Doped Ion-Pair Coordinated Polymer Electrolytes: A Molecular Dynamics Study",
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    title = "Probing Surface Chemistry at an Atomic Level; Decomposition of 1-Propanethiol on GaP(001)(2×4) Investigated by STM, XPS, and DFT",
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    title = "A hydro/oxo-phobic top hole-selective layer for efficient and stable colloidal quantum dot solar cells",
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    title = "Theoretical and Experimental Studies of the Dechlorination  Mechanism of Carbon Tetrachloride on a Vivianite Ferrous  Phosphate Surface",
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    title = "Embedding Covalency into Metal Catalysts for Efficient Electrochemical Conversion of CO\_2",
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    title = "Toward efficient electrochemical conversion of CO\_2: Catalyst design accelerated by simulation-based screening",
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    title = "Growth Mechanism and Electronic Structure of Zn\_3P\_2 on the Ga-Rich GaAs(001) Surface",
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    title = "Graphene field effect transistor without an energy gap",
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    title = "Scaled Effective Solvent Method for Predicting the Equilibrium Ensemble of Structures with Analysis of Thermodynamic Properties of Amorphous Polyethylene Glycol–Water Mixtures",
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    title = "A microfluidic-based bubble generation platform enables analysis of physical property change in phospholipid surfactant layers by interfacial ozone reaction",
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@article{https://resolver.caltech.edu/CaltechAUTHORS:20130118-105914846,
    title = "DFT Study of Water Adsorption and Decomposition on a Ga-Rich
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@article{https://resolver.caltech.edu/CaltechAUTHORS:20120327-141846288,
    title = "The Role of Confined Water in Ionic Liquid Electrolytes for Dye-Sensitized Solar Cells",
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    title = "Universal Correction of Density Functional Theory to Include London Dispersion (up to Lr, Element 103)",
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@article{https://resolver.caltech.edu/CaltechAUTHORS:20110926-110847236,
    title = "High-temperature high-pressure phases of lithium from electron force field (eFF) quantum electron dynamics simulations",
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    title = "Chemistries for Patterning Robust DNA MicroBarcodes Enable Multiplex Assays of Cytoplasm Proteins from Single Cancer Cells",
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    title = "Time Resolved Studies of Interfacial Reactions of Ozone with Pulmonary Phospholipid Surfactants Using Field Induced Droplet Ionization Mass Spectrometry",
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    title = "Free energy barrier for molecular motions in bistable [2]rotaxane molecular electronic devices",
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