All the data in this project are generated running Density Functional (DFT) simulation either on NIST computer clusters of through our collaborators at University of Florida. The final data consist in relaxed atomic structures and corresponding energetic, mechanical, electronic and phonon properties. The metadata consist in the initial and relaxed structures, the description of the code, of the k points and of all the parameters used in running the simulations (energy or real space cutoff, type of minimization, occupation, etc.).

Hestia Project quantifies, simulates and visualizes greenhouse gases such as carbon dioxide emitted in urban regions. Los Angeles basin activity is provided at the 1 km grid spatial resolution, and at temporal resolutions of hourly or annually. Hestia-LA urban CO2 emissions inventory builds upon work conducted at the national scale (Vulcan Project) that includes various sectorial attributions. Hestia's high spatial and temporal resolution datasets are currently available for 2010 to 2015, in UTC or local time.

Hestia Fossil Fuel Carbon Dioxide Emissions Inventory for Urban Regions (Hestia FFCO2) provides data products for Los Angeles Basin, Northeast corridor, Indianapolis, and other U.S. Cities. Hestia FFCO2 datasets quantify greenhouse gases (GHG), such as carbon dioxide, emitted by urban regions, since cities are major contributors of anthropogenic GHG emissions. The Hestia FFCO2 datasets provide high spatial and temporal resolution CO2 concentrations at sub-county resolutions and annual/hourly time scales, specific to the region.

Hestia Project quantifies, simulates and visualizes greenhouse gases such as carbon dioxide emitted in urban regions. Indianapolis data is provided at the county level (200 m grid resolution), and at hourly and yearly time frames. It builds upon work conducted at the national scale by the Vulcan Project. These high spatial and temporal resolution datasets are available from 2010 to 2015.

Hestia Project quantifies, simulates and visualizes greenhouse gases such as carbon dioxide emitted in urban regions. Baltimore, Maryland activity is provided at the county level (200 m grid resolution), and at hourly and yearly time frames. It builds upon work conducted at the national scale by the Vulcan Project. These high spatial and temporal resolution datasets are available from 2010.

Hestia Project quantifies, simulates and visualizes greenhouse gases such as carbon dioxide emitted in urban regions. Salt Lake City, Utah activity is provided at the county level (0.002 degree grid resolution), and at hourly and yearly time frames. It builds upon work conducted at the national scale by the Vulcan Project. These high spatial and temporal resolution datasets are available for 2002, 2010, 2011, and 2012.

The Micronutrients Measurement Quality Assurance Program (MMQAP) was coordinated by the Chemical Sciences Division and supported measurement technology for selected fat- and water-soluble vitamins and carotenoids in human serum. This program was initiated in 1984 by the National Cancer Institute Division of Cancer Prevention and Control to ensure the long-term reliability of the measurements made while studying the possible cancer chemoprevention roles of these compounds.

The Manufacturing Cost Guide is a tool that estimates the costs that US manufacturers face and can be used to help gauge the potential returns on manufacturing industry research projects through cost reductions. These costs are grouped into various standardized categories such as the North American Industry Classification System (NAICS) and the Standard Occupational Classification (SOC) system along with other non-standardized costs.

The tool can be used to answer questions such as:

Values are computed for the dilute-gas diffusivity of water isotopologues in N2, CO2, and their mixture at a composition representing the atmosphere of Mars, for standard conditions of 101.325 kPa and water mole fraction approaching zero. Values are similarly computed for the diffusivity of methane isotopologues in N2, representing the atmosphere of Titan. Calculations employ state-of-the-art intermolecular potentials and classical trajectory calculations as described in the paper by R. Hellmann and A.H.

Tabulations at 1 K intervals from 1 K to 6000 K of the partition function and standard-state isobaric heat capacity, entropy, and enthalpy for the 12 natural isotopologues of CO2, along with their standard uncertainties. Calculations performed with a partition function constructed from spectroscopic and theoretical data as described in the Appendix of the paper by A.H. Harvey, S.A. Tashkun, and E.W. Lemmon, to be submitted to J. Phys. Chem. Ref. Data. Note that the model does not account for dissociation of the CO2 molecule, making the results incomplete above approximately 3500 K.