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NIST Chemistry WebBook
webbook.nist.gov
[HTML]
| Description: | This website provides access to data compiled and distributed by NIST (National Institute of Standards and Technology). You can find here thermochemical data for organic and small inorganic compounds, reaction thermochemistry data, IR spectra, mass spectra, electronic and vibrational spectra, constants of diatomic molecules, ion energetics data, thermophysical property data for fluids. You can search for data on specific compounds in the Chemistry WebBook based on name, chemical formula, CAS registry number, molecular weight, chemical structure, or selected ion energetics and spectral properties. |
| Author: | Standard Reference Data Program, National Institute of Standards and Technology |
| Publisher: | National Institute of Standards and Technology |
| Classification: | PACS2003 82.60.-s Chemical thermodynamics
PACS2003 30. Atomic and Molecular Physics
PACS2003 70. Condensed Matter Electronic Structure, Electrical, Magnetic, and Optical Properties
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| Category: | Scientific and Technical Data
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| Language: | English |
| Access Rights: | free |
| Date: | 2004-11-09 |
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A Database for Atoms, Molecules, Gases and Plasmas
gaphyor.lpgp.u-psud.fr/gaphyor/index.html [HTML]
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GAPHYOR (GAz-PHYsics-ORsay) Data Center, located in Orsay at the Laboratoire de Physique des Gaz et des Plasmas LPGP, produces a database on properties of atoms, molecules and neutral or ionized gases, including chemical reactions. Five domains of physics, chemical physics and plasma physics are dealt with: properties of isolated atoms and molecules, collisions with photons, collisions with electrons, collisions and reactions between atoms and molecules, and macroscopic properties of gases. The database is based on a large coverage of the specialized literature in the fields of atomic and molecular physics, chemical physics and plasma physics.Data include bibliographical, factual and numerical information. more info
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ADAS : Atomic Data and Analysis Structure
www.adas.ac.uk [HTML, PDF, C-Source, Fortran]
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The Atomic Data and Analysis Structure (ADAS) is an interconnected set of computer codes and data collections for modelling the radiating properties of ions and atoms in plasmas. It can address plasmas ranging from the interstellar medium through the solar atmosphere and laboratory thermonuclear fusion devices to technological plasmas. ADAS assists in the analysis and interpretation of spectral emission and supports detailed plasma models. ADAS data and ADAS-generated data are incorporated in many plasma modelling codes such as B2-IRENE, CHEAP, DIVIMP, EDGE2D, SANCO and STRAHL and analyses such as differential emission measure. more info
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Bilbao Crystallographic Server
www.cryst.ehu.es [HTML]
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The Bilbao Crystallographic Server provides crystallographic programs and databases accessible via Internet, which are created at the University of Basque Country, Spain. An extensive collection of programs, calculators and databases on different subfields of crystallography is here to be found, such as solid state applications, space group representations, group-subgroup relations, or incommensurate structures. The programs available on the server do not need a local installation and can be used free of charge. more info
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Cambridge Crystallographic Data Centre : CCDC
www.ccdc.cam.ac.uk [HTML/Javascript]
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The CCDC is producer of the Cambridge Structural Database (CSD) which records bibliographic, chemical and crystallographic information for organic molecules and metal-organic compounds whose 3D structures have been determined using X-ray diffraction and neutron diffraction. The Cambridge Structural Database (CSD) is distributed as part of the CSD System. Access has to be licensed. The CCDC site provides some free services such as enCIFer, a CIF checking, editing and visualisation software or CSDSymmetry, a collation of observed molecular and crystallographic symmetry properties. Free CIFs from the CCDC Supplementary Data Archive may be requested. more info
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Crystal Lattice Structures
cst-www.nrl.navy.mil/lattice/index.html [HTML]
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This web page offers a concise index of common crystal lattice structures. Graphical representations as well as useful information about the lattices are provided. It aims at visualizing the crystal lattice structures. The structures are described by prototype, Pearson symbol, Strukturbericht designation, and space group. more info
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Crystallography Open Database : COD
www.crystallography.net [HTML/Javascript]
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The Crystallography Open Database aims at providing an open access to crystallographic data both already published and still unpublished.Thus, it presents a keyword-searchable database of structure data such as atomic coordinates and includes bibliographic references. more info
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Database of the Thermophysical Properties of Gases Used in the Semiconductor Industry
www.nist.gov/cstl/process/fluid/srd_134_gases_semiconductor.cfm [HTML/Javascript]
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The Database of the Thermophysical Properties of Gases Used in the Semiconductor Industry is provided by the National Institute of Standards and Technology NIST. It originates in a project that will generate transport and thermodynamic property data for the gases used in semiconductor processing. The data will be useful for equipment modeling in chemical vapor deposition (CVD) processes and the data will also provide a rational basis for the calibration of mass flow controllers (MFCs) used to meter process gases. The results are disseminated in this data base providing the heat capacity, thermal conductivity, viscosity, and the virial coefficients for the virial equation of state providing the pressure-density-temperature relation for the process gases. more info
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Electron-Impact Cross Sections for Ionization and Excitation Database
physics.nist.gov/PhysRefData/Ionization/Xsection.html [HTML, HTML/Javascript, GIF]
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The Electron-Impact Cross Sections for Ionization and Excitation database provided by the National Institute of Standards and Technology (NIST) is a database primarily of total ionization cross sections of molecules by electron impact. The database also includes cross sections for some atoms and energy distributions of ejected electrons for H, He, and H2. The cross sections were calculated using the Binary-Encounter-Bethe (BEB) model, which combines the Mott cross section with the high-incident energy behavior of the Bethe cross section. Selected experimental data are included. Electron-impact excitation cross sections are also included for some selected atoms. more info
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Elemental Data Index
physics.nist.gov/PhysRefData/Elements/cover.html [HTML/Javascript]
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The Elemental Data Index provides access to the holdings of NIST Physics Laboratory online data organized by element. It is intended to simplify the process of retrieving online scientific data for a specific element. Also you will find here the entry point to all NIST Physics Laboratory databases. more info
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GESTIS-Stoffdatenbank
www.dguv.de/ifa/de/gestis/stoffdb/index.jsp [HTML/Javascript]
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Die GESTIS-Stoffdatenbank enthält Informationen für den sicheren Umgang mit chemischen Stoffen am Arbeitsplatz, wie z.B. die Wirkungen der Stoffe auf den Menschen, die erforderlichen Schutzmaßnahmen und die Maßnahmen im Gefahrenfall (inkl. Erste Hilfe). Darüber hinaus wird der Nutzer über wichtige physikalisch-chemische Daten der Stoffe sowie über spezielle gesetzliche und berufsgenossenschaftliche Regelungen zu den einzelnen Stoffen informiert. more info
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Material Data Network : matdata.net
www.matdata.net [HTML]
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The material search engine provided by matdata.net focuses on information relating to the professional application of materials and processes. Highest quality information sources are included, such as ASM International, and National Physical Laboratory (UK). For some sources users need subscriptions to access data that have been found by the search engine. more info
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MatWeb : Material Property Data
www.matweb.com [HTML/Javascript]
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MatWeb provides a searchable database of material data sheets. The database includes property information on thermoplastic and thermoset polymers such as ABS, nylon, polycarbonate, polyester, polyethylene and polypropylene; metals such as aluminum, cobalt, copper, lead, magnesium, nickel, steel, superalloys, titanium and zinc alloys; ceramics; plus semiconductors, fibers, and other engineering materials. more info
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Mineralogy Database
www.webmineral.com [HTML/Javascript, Java-Applet]
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Mineral data included in the Mineralogy Database may be accessed by several aspects such as crystallography, X-Ray powder diffraction, chemical composition, or properties. more info
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Molecular Microwave Spectral Databases
www.nist.gov/physlab/data/molspec.cfm [HTML/Javascript]
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These three databases of diatomic, triatomic, and hydrocarbon molecules provided by the National Institute of Standards and Technology (NIST) were originally published as spectral tables in the Journal of Physical and Chemical Reference Data. Each of the databases covers primarily the microwave region with some data available for the radio frequency region. Rotational spectral lines have been tabulated. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty, and reference are given for each transition reported. The derived molecular properties, such as rotational and centrifugal distortion constants, hyperfine structure constants, electric dipole moments, rotational g-factors and internuclear distances (for diatomic molecules) are listed with one standard deviation uncertainties for all species. In addition to the interface for each molecule, this online version of these three databases contains a multiple-molecule, frequency-searchable interface for the diatomic, triatomic, and hydrocarbon molecules and an updated, searchable reference database. more info
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Nanoparticle Information Library : NIL
nanoparticlelibrary.net/index.asp [HTML/Javascript]
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The National Institute for Occupational Safety and Health NIOSH is working with its national and international partners to develop a web-based Nanoparticle Information Library (NIL). The goal of the NIL is to help occupational health professionals, industrial users, worker groups, and researchers organize and share information on nanomaterials, including their health and safety-associated properties. The Nanoparticle Information Library provides an online database including information on nanomaterial composition, method of production, particle size, surface area, and morphology, applications, and availability of the nanomaterial as well as relevant publications. Database entries include safety and health information. more info
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National Physical Laboratory : Publications
www.npl.co.uk/publications [HTML/Javascript]
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The National Physical Laboratory is the UK`s national standards laboratory. The main focus of the work in the NPL Materials Centre is associated with developing test methods and materials measurement. NPL produces a range of publications for every technical level, and across a wide range of technical and sectoral topics. Some of our most popular publications types are highlighted on this page, but users are free to search the full publications database. more info
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NIST Atomic Spectra Database
physics.nist.gov/PhysRefData/ASD/index.html [HTML/Javascript, PDF, Java-Applet]
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This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. A table of ground levels and ionization energies for the neutral atoms is given. You can also find here links to related databases of NIST. more info
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NIST Handbook of Basic Atomic Spectroscopic Data
physics.nist.gov/PhysRefData/Handbook/index.html [HTML]
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The Handbook of Basic Atomic Spectroscopic Data is designed to provide a selection of the most important and frequently used atomic spectroscopic data in an easily accessible format. The compilation includes data for the neutral and singly-ionized atoms of all elements hydrogen through einsteinium (Z = 1-99). The wavelengths, intensities, and spectrum assignments are given in a table for each element, and the data for the approximately 12,000 lines of all elements are also collected into a single table, sorted by wavelength (a finding list). more info
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NIST Scientific and Technical Databases : Atomic and Molecular Physics
www.nist.gov/srd/atomic.htm [HTML]
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The NIST collection of atomic energy levels, transition probabilities, and collision data is widely used by groups for characterizing and modelling all types of gaseous systems, including plasmas, planetary atmospheres, and astrophysical media, and for health physics applications. Databases and publications make these data easy to find and easy to use.This page provides a topically ordered list of links to relevant NIST databases. more info
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NIST Scientific and Technical Databases : Materials Properties
www.nist.gov/srd/materials.htm [HTML/Javascript]
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The NIST Materials Data Program provides evaluated data on phase equilibria, structure and characterization, and performance properties. Several materials performance property databases are now available, including the online NIST Ceramics WebBook which provides numeric data for physical and structural characteristics, mechanical and thermal properties, and properties of advanced ceramic materialsThis page provides a list of links to relevant NIST databases relating to materials properties. more info
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NIST Standard Reference Database 74 : Thermodynamics of Enzyme-Catalyzed Reactions
xpdb.nist.gov/enzyme_thermodynamics [HTML]
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This database originates in a project which aims to provide a compilation of data on the thermodynamics of enzyme-catalyzed reactions. The data presented herein is limited to direct equilibrium and calorimetric measurements performed on these reactions under in vitro conditions. The following information is given for each entry in this database: the reference for the data; the reaction studied; the name of the enzyme used and its Enzyme Commission number; the method of measurement; the conditions of measurement (temperature, pH, ionic strength, and the buffer(s) and cofactor(s) used); the data and an evaluation of it; and, sometimes, commentary on the data and on any corrections which have been applied to it. more info
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NIST WebHTS Database (Expertise)
www.ceramics.nist.gov/srd/hts/htsquery.htm [HTML]
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The NIST WWW High Temperature Superconductors database (WebHTS) provides evaluated thermal, mechanical, and superconducting property data for oxide superconductors. The range of materials covers the major series of compounds derived from the Y-Ba-Cu-O, Bi-Sr-Ca-Cu-O, Tl-Sr-Ca-Cu-O, and La-Cu-O chemical families, along with numerous other variants of the cuprate and bismuthate materials that are known to have superconducting phases. The materials are described by specification and characterization information that includes processing details and chemical compositions. Physical characteristics such as density and crystal structure are given in numeric tables. All measured values are evaluated and supported by descriptions of the measurement methods, procedures, and conditions. In all cases, the sources of the data are fully documented in a comprehensive bibliography. more info
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NIST WebSCD Database
www.ceramics.nist.gov/srd/scd/scdquery.htm [HTML]
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This web page contains the NIST Structural Ceramics Database (SCD), which provides a comprehensive collection of materials property data for advanced ceramics. The SCD covers the physical, mechanical, and thermal properties of oxide, boride, carbide, nitride, and oxynitride ceramic materials. In addition to the numeric data, the SCD provides full bibliographic references to the sources of the data, along with descriptions of the materials and the measurement methods. more info
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NIST X-ray Photoelectron Spectroscopy Database
srdata.nist.gov/xps [HTML]
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The NIST X-ray Photoelectron Spectroscopy (XPS) Database gives easy access to the energies of many photoelectron and Auger-electron spectral lines. Resulting from a critical evaluation of the published literature, the database contains line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron lines. A highly interactive program allows the user to search by element, line type, line energy, and many other variables. Users can easily identify unknown measured lines by matching to previous measurements. more info
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Open-ADAS
open.adas.ac.uk [HTML, TAR, GZIP]
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The extensive high quality fundamental and derived atomic data for fusion generated in association with the ADAS Project and in the ADAS databases are a major resource. It is beneficial for this to be in the public domain, freed from the restriction of ADAS membership, as a guided provision. This provision is the core thrust of OPEN-ADAS. OPEN-ADAS allows for the download of a selected set of ADAS data and associated reading routines for them. OPEN-ADAS is a joint development between the ADAS Project and the IAEA. Registration is required but all downloads are free. more info
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Reciprocal Net
www.reciprocalnet.org [HTML/Javascript, Java-Applet, JPEG, GIF]
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The Reciprocal Net project will construct and deploy a distributed, open, extensible digital collection of molecular structures. Associated with the collection will be software tools for visualizing, interacting with, and rendering printable images of the contents; software for the automated conversion of local database representations into standard formats which can be globally shared; tools and components for constructing educational modules based on the collection; and examples of such modules as the beginning of a public repository for educational materials based on the collection. The contents of this collection will come principally from structures contributed by participating crystallography laboratories. The project is funded by the National Science Foundation (NSF) and is part of the National Science Digital Library. more info
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Reference and Database of Optical Constants
www.astro.spbu.ru/JPDOC/f-dbase.html [HTML]
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This database contains references to papers, data files and links to Internet resources related to measurements and calculations of optical constants in the wavelength interval from X-rays to radio domain. The materials considered are amorphous and crystalline silicates of different kinds, various ices, oxides, sulfides, carbides, carbonaceous species from amorphous carbon to graphite and diamonds and some other materials of astrophysical and terrestrial atmosphere interests. more info
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Semiconductors on NSM
www.ioffe.rssi.ru/SVA/NSM/Semicond/index.html [HTML/Javascript, GIF]
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This website is intended to systemize parameters of semiconductor compounds and heterostructures based on them. It enables physicists, both theoreticians and experimentalists, to rapidly retrieve the semiconducting material parameters they are interested in. In addition, physical parameters - optical, electrical, mechanical, etc. - are presented for both the known and new semiconducting compounds. more info
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The PGM Database
www.platinummetalsreview.com/jmpgm/index.jsp [HTML/Javascript]
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The PGM Database is a free database of properties on the six platinum group metals, their alloy systems and phase diagrams. It contains published data and internal Johnson Matthey data. Contributions of new data are welcome. Data sets include references. Graphics are provided in png format. more info
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www.lasurface.com : XPS, AES, UPS
www.lasurface.com [HTML/Javascript]
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Lasurface.com offers information on surface physics. This website provides access to the XPBASE database containing X-Ray Photoelectron and Auger Electron Spectroscopy data and references and includes tutorial texts on the theoretical background of XPS, AES, and UPS. more info
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X-Ray Transition Energies
physics.nist.gov/PhysRefData/XrayTrans/index.html [HTML/Javascript]
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This x-ray transition table offered by the National Institute of Standards and Technology (NIST) provides the energies for K transitions connecting the K shell (n = 1) to the shells with principal quantum numbers n = 2 to 4 and L transitions connecting the L1, L2, and L3 shells (n = 2) to the shells with principal quantum numbers n = 3 and 4. The elements covered include Z = 10, neon to Z = 100, fermium. There are two unique features of this database: (1) all experimental values are on a scale consistent with the International System of measurement (the SI) and the numerical values are determined using constants from the Recommended Values of the Fundamental Physical Constants: 1998 and (2) accurate theoretical estimates are included for all transitions. more info
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XCOM : Photon Cross Sections Database
physics.nist.gov/PhysRefData/Xcom/Text/XCOM.html [HTML, Fortran, GIF]
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The XCOM database provided by the National Institute of Standards and Technology (NIST) can be used to calculate photon cross sections for scattering, photoelectric absorption and pair production, as well as total attenuation coefficients, for any element to Z = 100, compound or mixture, at energies from 1 keV to 100 GeV. The XCOM program can generate cross sections on a standard energy grid (spaced approximately logarithmically), or on a grid selected by the user, or for a mix of both grids. Cross sections at energies immediately above and below all absorption edges are automatically included. XCOM provides two forms of output: (a) tables which correspond closely in format to existing tables in the literature; (b) graphical display of the tabular data. more info
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