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HOMO-LUMO gaps and reaction barriers (transition states) are among the well-known cases where DFT methods often come up short. Careful validation studies will establish what functionals yield the most
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seen an explosion in our understanding of the problem, almost all due to advances in characterization techniques and researchers’ innovation in combining techniques. The “million-dollar question
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nanoparticles. An additional challenge is the concentration differences, as some contaminants in water are present at percent levels, but most occur at low levels and have unknown cumulative effects on both
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, and capacitance) Electrostatic interactions in crown ethers, near metallic electrodes, and around nanopores Local dielectric response in nanoscale confinement We also welcome related proposals on topics
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chips, and also virtually any future magnetism-based electronics will require large, very uniform arrays of magnetic nanostructures that may use novel spin transport phenomena to manipulate and detect
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and it has nearly 100% detection efficiency. That is a combination that offers much potential in improved measurements as well as fundamental tests of physics and quantum mechanics. key words
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301.975.5329 Daniel Wheeler daniel.wheeler@nist.gov 301.975.0409 Description Additive Manufacturing (“3D printing”) technologies are attractive for their ability to produce near-net-shape parts in geometries
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merely leads to large data files but limited information about the environment it seeks to represent. This project seeks to (1) investigate the use of commercial off the shelf optical components such as
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allergens. Proteomics is one of the most important post-genomic approaches that provide a complete description of a proteome under various pathological and physiological conditions. The study of proteins
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2014 alone, US healthcare spending grew 5.3% to exceed $3.0 trillion. That is nearly $10K per person, putting the total bill at nearly 18% of the US Gross Domestic Product. Beyond healthcare, chemical