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tabase - SRD 101 NIST -- National Institute of Standards and Technology, data.nist.gov (Standard Reference / public data, DCAT/NERDm). {"@context":["https://data.nist.gov/od/dm/nerdm-pub-context.jsonld",{"@base":"ark:/88434/mds10pkrhr"}],"_schema":"https://data.nist.gov/od/dm/nerdm-schema/v0.7#","_extensionSchemas":["https://data.nist.gov/od/dm/nerdm-schema/pub/v0.7#/definitions/PublicDataResource"],"@type":["nrd:SRD","nrdp:PublicDataResource"],"@id":"ark:/88434/mds10pkrhr","doi":"doi:10.18434/T47C7Z","title":"NIST Computational Chemistry Comparison and Benchmark Database - SRD 101","contactPoint":{"@type":"vcard:Contact","hasEmail":"mailto:russell.johnson@nist.gov","fn":"Russell Johnson"},"modified":"2016-10-01","ediid":"FDB59097465D5200E043065706813E54101","landingPage":"https://cccbdb.nist.gov/","description":["The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of gas-phase molecules. 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D., Vondrasek, J., Wlodawer, A., & Bhat, T. N. (2005). Application of InChI to curate, index, and query 3-D structures. Proteins: Structure, Function, and Bioinformatics, 60(1), 1–4. doi:10.1002/prot.20469\n","_extensionSchemas":["https://data.nist.gov/od/dm/nerdm-schema/bib/v0.7#/definitions/DCiteReference"]},{"@id":"https://doi.org/10.1002/prot.20914","@type":["npg:Article"],"refType":"IsCitedBy","title":"Chemical compound navigator: A web-based chem-BLAST, chemical taxonomy-based search engine for browsing compounds","issued":"2006-02-28","location":"https://doi.org/10.1002/prot.20914","citation":"Prasanna, M. D., Vondrasek, J., Wlodawer, A., Rodriguez, H., & Bhat, T. N. (2006). Chemical compound navigator: A web-based chem-BLAST, chemical taxonomy-based search engine for browsing compounds. 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It is intended to simplify the process of retrieving online scientific data for a specific element from various online databases, including atomic spectroscopy, atomic data, x-ray absorption, and nuclear data. For some of the databases, the data are immediately retrieved; for others, the retrieval form is provided with the element entered in the form, but additional options must be selected in order to retrieve the data. Each of the databases can be individually accessed from the PML's Physical Reference Data page (http://pml.nist.gov/data)."],"bureauCode":["006:55"],"contactPoint":{"hasEmail":"mailto:karen.olsen@nist.gov","fn":"Karen Olsen"},"accessLevel":"public","@id":"ark:/88434/mds008v764","publisher":{"@type":"org:Organization","name":"National Institute of Standards and Technology"},"doi":"doi:10.18434/T4V304","license":"https://www.nist.gov/open/license","language":["en"],"modified":"2011-12-01 00:00:00","ediid":"FDB5909746605200E043065706813E54104","components":[{"accessURL":"https://dx.doi.org/10.18434/T4V304","mediaType":"text/html","format":"text/html","description":"DOI Access to Elemental Data Index","title":"DOI Access to Elemental Data Index","@type":["nrd:Hidden","dcat:Distribution"],"@id":"#doi:10.18434/T4V304"}],"version":"1.0.1","releaseHistory":{"@id":"ark:/88434/mds008v764/pdr:v","@type":["nrdr:ReleaseHistory"],"hasRelease":[{"version":"1.0.0","issued":"2011-12-01","@id":"ark:/88434/mds008v764/pdr:v/1.0.0","location":"https://data.nist.gov/od/id/ark:/88434/mds008v764/pdr:v/1.0.0","description":"initial release"},{"version":"1.0.1","issued":"2011-12-01 00:00:00","@id":"ark:/88434/mds008v764/pdr:v/1.0.1","location":"https://data.nist.gov/od/id/ark:/88434/mds008v764/pdr:v/1.0.1","description":"metadata update"}]}},{"_schema":"https://data.nist.gov/od/dm/nerdm-schema/v0.7#","@context":["https://data.nist.gov/od/dm/nerdm-pub-context.jsonld",{"@base":"ark:/88434/mds014dgx8"}],"@type":["nrdp:PublicDataResource"],"_extensionSchemas":["https://data.nist.gov/od/dm/nerdm-schema/pub/v0.7#/definitions/PublicDataResource"],"topic":[],"keyword":["Actinium","Aluminium","Aluminum","Americium","Antimony","Argon","Arsenic","Astatine","Atom","Atomic Data","Atomic Ions","Atomic Physics","Atomic Property","Atomic Spectroscopy","Barium","Berkelium","Beryllium","Bibliographic Database","Bibliography","Bismuth","Bohrium","Boron","Bromine","Cadmium","Calcium","Californium","Carbon","Cerium","Cesium","Chlorine","Chromium","Cobalt","Columbium","Copernicium","Copper","Curium","Darmstadtium","Deuterium","Doubly Charged","Doubly Ionized","Dubnium","Dysprosium","Einsteinium","Element","Erbium","Europium","Fermium","Flerovium","Fluorine","Francium","Gadolinium","Gallium","Germanium","Gold","Hafnium","Hassium","Helium","Holmium","Hydrogen","Indium","Iodine","Ionized Atoms","Iridium","Iron","Krypton","Kurchatovium","Lanthanum","Lawrencium","Lead","Literature","Lithium","Livermorium","Lutetium","Magnesium","Manganese","Meitnerium","Mendelevium","Mercury","Molybdenum","Multiply Charged","Neodymium","Neon","Neptunium","Neutral Atoms","Nickel","Niobium","Nitrogen","Nobelium","Osmium","Oxygen","Palladium","Phosphorus","Platinum","Plutonium","Polonium","Potassium","Praseodymium","Promethium","Protactinium","Quadruply Charged","Quadruply Ionized","Radiative Lifetime","Radiative Rate","Radium","Radon","Rhenium","Rhodium","Roentgenium","Rubidium","Ruthenium","Rutherfordium","Samarium","Scandium","Seaborgium","Searchable","Selenium","Silicium","Silicon","Silver","Singly Charged","Singly Ionized","Sodium","Spectrum","Strontium","Sulfur","Sulphur","Tantalum","Technetium","Tellurium","Terbium","Thallium","Thorium","Thulium","Tin","Titanium","Transition Probability","Triply Charged","Triply Ionized","Tritium","Tungsten","Ununbium","Ununhexium","Ununoctium","Ununpentium","Ununquadium","Ununseptium","Ununtrium","Unununium","Uranium","Vanadium","Xenon","Ytterbium","Yttrium","Zinc","Zirconium"],"landingPage":"https://physics.nist.gov/cgi-bin/ASBib1/TransProbBib.cgi","title":"NIST Atomic Transition Probability Bibliographic Database","theme":["Physics:Spectroscopy"],"programCode":["006:052"],"description":["This interactive database, maintained by the NIST Atomic Spectroscopy Data Center, contains more than 8000 references, dating from 1914 through current year and is updated regularly in intervals between one and four weeks. These references pertain to publications that include numerical data, comments, and reviews on atomic transition probabilities, oscillator strengths, line strengths, and radiative lifetimes."],"bureauCode":["006:55"],"contactPoint":{"hasEmail":"mailto:alexander.kramida@nist.gov","@type":"vcard:Contact","fn":"Alexander Kramida"},"accessLevel":"public","@id":"ark:/88434/mds014dgx8","publisher":{"@type":"org:Organization","name":"National Institute of Standards and Technology"},"doi":"doi:10.18434/T46C7N","license":"https://www.nist.gov/open/license","language":["en"],"modified":"2014-09-19 00:00:00","ediid":"FDB5909746655200E043065706813E54109","components":[{"accessURL":"https://dx.doi.org/10.18434/T46C7N","mediaType":"text/html","format":"text/html","description":"DOI Access to NIST Atomic Transition Probability Bibliographic Database","title":"DOI Access to NIST Atomic Transition Probability Bibliographic Database","@type":["nrd:Hidden","dcat:Distribution"],"@id":"#doi:10.18434/T46C7N"}],"version":"1.0.2","references":[],"releaseHistory":{"@id":"ark:/88434/mds014dgx8/pdr:v","@type":["nrdr:ReleaseHistory"],"hasRelease":[{"version":"1.0.0","issued":"2014-09-19","@id":"ark:/88434/mds014dgx8/pdr:v/1.0.0","location":"https://data.nist.gov/od/id/ark:/88434/mds014dgx8/pdr:v/1.0.0","description":"initial release"},{"version":"1.0.1","issued":"2014-09-19 00:00:00","@id":"ark:/88434/mds014dgx8/pdr:v/1.0.1","location":"https://data.nist.gov/od/id/ark:/88434/mds014dgx8/pdr:v/1.0.1","description":"metadata update"},{"version":"1.0.2","issued":"2014-09-19 00:00:00","@id":"ark:/88434/mds014dgx8/pdr:v/1.0.2","location":"https://data.nist.gov/od/id/ark:/88434/mds014dgx8/pdr:v/1.0.2","description":"metadata update"}]}},{"_schema":"https://data.nist.gov/od/dm/nerdm-schema/v0.7#","@context":["https://data.nist.gov/od/dm/nerdm-pub-context.jsonld",{"@base":"ark:/88434/mds011b3cj"}],"@type":["nrd:SRD","nrdp:PublicDataResource"],"_extensionSchemas":["https://data.nist.gov/od/dm/nerdm-schema/pub/v0.7#/definitions/PublicDataResource"],"topic":[],"references":[{"@type":["deo:BibliographicReference"],"@id":"#ref:PhysRefData/MolSpec/Hydro/Html/intro.html","refType":"IsReferencedBy","location":"http://physics.nist.gov/PhysRefData/MolSpec/Hydro/Html/intro.html","_extensionSchemas":["https://data.nist.gov/od/dm/nerdm-schema/bib/v0.7#/definitions/DCiteReference"]}],"keyword":["electric dipole moments","hydrocarbons","hyperfine structure","internuclear distances","microwave spectra","rotational constants","rotational spectra"],"landingPage":"https://www.nist.gov/pml/hydrocarbon-spectral-database","title":"NIST Hydrocarbon Spectral Database - SRD 115","theme":["Atomic / molecular / quantum","Standards:Reference data","Chemistry:Analytical chemistry"],"programCode":["006:052"],"description":["This database contains the rotational spectral lines observed and reported in the open literature for 91 hydrocarbon molecules through September 1987. 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