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Found 177 result(s)
The Benchmark Energy & Geometry Database (BEGDB) collects results of highly accurate QM calculations of molecular structures, energies and properties. These data can serve as benchmarks for testing and parameterization of other computational methods.
The International Satellite Cloud Climatology Project (ISCCP) is a database of intended for researchers to share information about cloud radiative properties. The data sets focus on the effects of clouds on the climate, the radiation budget, and the long-term hydrologic cycle. Within the data sets the data entries are broken down into entries of specific characteristics based on temporal resolution, spatial resolution, or temporal coverage.
The Gulf of Mexico Research Initiative Information and Data Cooperative (GRIIDC) is a team of researchers, data specialists and computer system developers who are supporting the development of a data management system to store scientific data generated by Gulf of Mexico researchers. The Master Research Agreement between BP and the Gulf of Mexico Alliance that established the Gulf of Mexico Research Initiative (GoMRI) included provisions that all data collected or generated through the agreement must be made available to the public. The Gulf of Mexico Research Initiative Information and Data Cooperative (GRIIDC) is the vehicle through which GoMRI is fulfilling this requirement. The mission of GRIIDC is to ensure a data and information legacy that promotes continual scientific discovery and public awareness of the Gulf of Mexico Ecosystem.
In February 1986 the NIST measurements were communicated to appropriate astronomers for use in ground-based testing and calibration programs for the GHRS, and in 1990 the NIST group published the new wavelengths for about 3000 lines in the Supplement Series of the Astrophysical Journal. The full report on the NIST measurements in the form of a complete and detailed atlas of the platinum/neon spectrum presented in this special issue of the Journal of Research of NIST will be highly useful to a wide range of scientists.
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HALO-DB is the web platform of a data retrieval and long-term archive system. The system was established to hold and to manage a wide range of data based on observations of the HALO research aircraft and data which are related to HALO observations. HALO (High-Altitude and LOng-range aircraft) is the new German research aircraft (German Science Community (DFG)). The aircraft, a Gulfstream GV-550 Business-Jet, is strongly modified for the application as a research platform. HALO offers several advantages for scientific campaigns, such as its high range of more than 10000 km, a high maximum altitude of more than 15 km, as well as a relatively high payload.
BSRN is a project of the Radiation Panel (now the Data and Assessment Panel) from the Global Energy and Water Cycle Experiment (GEWEX) under the umbrella of the World Climate Research Programme (WCRP). It is the global baseline network for surface radiation for the Global limate Observing System (GCOS), contributing to the Global Atmospheric Watch (GAW), and forming a ooperative network with the Network for the Detection of Atmospheric Composition Change NDACC).
Here you will find a collection of atomic microstructures that have been built by the atomic modeling community. Feel free to download any of these and use them in your own scientific explorations.The focus of this cyberinfrastructure is to advance the field of atomic-scale modeling of materials by acting as a forum for disseminating new atomistic scale methodologies, educating non-experts and the next generation of computational materials scientists, and serving as a bridge between the atomistic and complementary (electronic structure, mesoscale) modeling communities.
nanoHUB.org is the premier place for computational nanotechnology research, education, and collaboration. Our site hosts a rapidly growing collection of Simulation Programs for nanoscale phenomena that run in the cloud and are accessible through a web browser. In addition to simulation devices, nanoHUB provides Online Presentations, Courses, Learning Modules, Podcasts, Animations, Teaching Materials, and more. These resources help users learn about our simulation programs and about nanotechnology in general. Our site offers researchers a venue to explore, collaborate, and publish content, as well. Much of these collaborative efforts occur via Workspaces and User groups.
BindingDB is a public, web-accessible database of measured binding affinities, focusing chiefly on the interactions of proteins considered to be candidate drug-targets with ligands that are small, drug-like molecules. BindingDB supports medicinal chemistry and drug discovery via literature awareness and development of structure-activity relations (SAR and QSAR); validation of computational chemistry and molecular modeling approaches such as docking, scoring and free energy methods; chemical biology and chemical genomics; and basic studies of the physical chemistry of molecular recognition. BindingDB also includes a small collection of host-guest binding data of interest to chemists studying supramolecular systems. The data collection derives from a variety of measurement techniques, including enzyme inhibition and kinetics, isothermal titration calorimetry, NMR, and radioligand and competition assays. BindingDB includes data extracted from the literature by the BindingDB project, selected PubChem confirmatory BioAssays, and ChEMBL entries for which a well defined protein target ("TARGET_TYPE='PROTEIN'") is provided. Data extracted by BindingDB typically includes more details regarding experimental conditions, etc
eCrystals - Southampton is the archive for Crystal Structures generated by the Southampton Chemical Crystallography Group and the EPSRC UK National Crystallography Service.
ONS challenge contains open solubility data, experiments with raw data from different scientists and institutions. It is part of the The Open Notebook Science wiki community, ideally suited for community-wide collaborative research projects involving mathematical modeling and computer simulation work, as it allows researchers to document model development in a step-by-step fashion, then link model prediction to experiments that test the model, and in turn, use feeback from experiments to evolve the model. By making our laboratory notebooks public, the evolutionary process of a model can be followed in its totality by the interested reader. Researchers from laboratories around the world can now follow the progress of our research day-to-day, borrow models at various stages of development, comment or advice on model developments, discuss experiments, ask questions, provide feedback, or otherwise contribute to the progress of science in any manner possible.
nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. The nmrshiftdb2 software is open source, the data is published under an open content license. Please consult the documentation for more detailed information. nmrshiftdb2 is the continuation of the NMRShiftDB project with additional data and bugfixes and changes in the software.
The NADP monitors precipitation chemistry from numerous sites around the United States. The NADP consists of 5 networks: National Trends Network, Mercury Deposition Network, Atmospheric Integrated Research Monitoring Network, Atmospheric Mercury Network, and Ammonia Monitoring Network. Data is provided by each network.
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The Institutional repository collects, disseminates and preserves in digital form, the intellectual output that results from the academic and research activity of the Universitat Pompeu Fabra (UPF). Its Purpose is to Increase the impact of research done at the UPF and STIs intellectual memory.
The RRUFF Project is creating a complete set of high quality spectral data from well characterized minerals and is developing the technology to share this information with the world. The collected data provides a standard for mineralogists, geoscientists, gemologists and the general public for the identification of minerals both on earth and for planetary exploration.Electron microprobe analysis is used to determine the chemistry of each mineral.
The Nanomaterial Registry is a publicly available repository for curated research data on nanomaterials, including their physico-chemical characteristics and their interactions with biological and environmental systems.
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The National Pollutant Release Inventory (NPRI) is Canada's legislated, publicly accessible inventory of pollutant releases (to air, water and land), disposals and transfers for recycling. It is a key resource for: identifying pollution prevention priorities; supporting the assessment and risk management of chemicals, and air quality modelling; helping develop targeted regulations for reducing releases of toxic substances and air pollutants; encouraging actions to reduce the release of pollutants into the environment; and improving public understanding. The NPRI comprises: Information reported by facilities and published by Environment and Climate Change Canada under the authority of Sections 46 – 50 of the Canadian Environmental Protection Act, 1999 (CEPA 1999); and Comprehensive emission summaries and trends for key air pollutants, based on facility-reported data and emission estimates for other sources such as motor vehicles, residential heating, forest fires and agriculture. For the latest reporting year, 7,708 facilities reported to the NPRI on more than 300 listed substances. Comprehensive air pollutant emission summaries and trends were compiled by Environment and Climate Change Canada for criteria air contaminants (the main pollutants contributing to smog, acid rain and/or poor air quality), selected heavy metals and persistent organic pollutants.
Established in 1965, the CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing the results of over half-a-million x-ray and neutron diffraction analyses this unique database of accurate 3D structures has become an essential resource to scientists around the world. The CSD records bibliographic, chemical and crystallographic information for:organic molecules, metal-organic compounds whose 3D structures have been determined using X-ray diffraction, neutron diffraction. The CSD records results of: single crystal studies, powder diffraction studies which yield 3D atomic coordinate data for at least all non-H atoms. In some cases the CCDC is unable to obtain coordinates, and incomplete entries are archived to the CSD. The CSD includes crystal structure data arising from: publications in the open literature. Private Communications to the CSD (via direct data deposition). The CSD also contains directly deposited data that are not available anywhere else.
The National Science Digital Library provides high quality online educational resources for teaching and learning, with current emphasis on the sciences, technology, engineering, and mathematics (STEM) disciplines—both formal and informal, institutional and individual, in local, state, national, and international educational settings. The NSDL collection contains structured descriptive information (metadata) about web-based educational resources held on other sites by their providers. These providers have contribute this metadata to NSDL for organized search and open access to educational resources via this website and its services.
The DOE Data Explorer (DDE) is an information tool to help you locate DOE's collections of data and non-text information and, at the same time, retrieve individual datasets within some of those collections. It includes collection citations prepared by the Office of Scientific and Technical Information, as well as citations for individual datasets submitted from DOE Data Centers and other organizations.