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Chemistry & Chemical Engineering


General Chemistry

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Chemical Suppliers

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Analytical Chemistry

  • Merck KGaA Chromatography Homepage
    Not just a sales vehicle--contains real information.
  • NMRShiftDB
    “NMRShiftDB is a web database for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (currently only for carbon) as well as for searching spectra, structures and other properties.”
  • SDBS
    SDBS (Integrated Spectral Data Base System for Organic Compounds) is an integrated spectral database system of 30,000 organic compounds, which includes 6 different types of spectra (MS, 13C NMR, 1H NMR, ESR, IR, Raman). At present data from 1H NMR, 13C NMR, Mass and IR databases are available on WWW. Most of the spectra are measured at the National Institute of Materials and Chemical Research, Japan. The master files of the MS, 1H NMR-pattern, IR and Raman spectra are constructed by direct transfer of the digital data from the spectrometers. All the databases contain the spectral patterns. The system may be searched by compound name, molecular formula, no. of atoms, molecular weight, CAS Registry no., or SDBS no.

    See also Properties / Reactions / Data below, for molecular spectra and other data.
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Biochemistry

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Chemical Engineering

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Inorganic Chemistry / Crystallography

  • American Crystallographic Association
    Provides information about the ACA and other crystallographic societies plus links to funding sources, jobs, and more.
  • American Mineralogist Crystal Structure Database
    “This site is an interface to a crystal structure database that includes every structure published in the American Mineralogist, The Canadian Mineralogist, and the European Journal of Mineralogy. We are now importing data from Physics and Chemistry of Minerals. The database is maintained under the care of the Mineralogical Society of America and the Mineralogical Association of Canada, and financed by the National Science Foundation.”
  • Database of Zeolite Structures
    Includes the Atlas of Zeolite Framework Types, powder diffraction patterns and zeolite structure references.
  • Indiana University Molecular Structure Center -- Crystallography
    Allows rapid access to data generated in the IUMSC. To take full advantage of this server, you must be using a viewer that can read JavaTM applets.
  • IUCr Crystallography World Wide
    Crystallography World Wide (CWW) provides extensive coverage of current internet-based information on crystallography. This page supplies information on the International Union of Crystallography, its Commissions and Regional Associates, and its journals and other publications.
  • Mineralogy Database
    Mineralogy Database contains more than 4000 minerals. Includes Crystallography, X-ray powder diffraction, and chemical composition.
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Organic Chemistry

  • Beilstein Abstracts
    Beilstein Abstracts is now available on the web. You must register at ChemWeb.com to get access to the database. "Users are able to access titles, abstracts and citations from the top journals in organic and related chemistry, published from 1980 to the present. There are currently approximately 600,000 articles in the Beilstein Abstracts Database."
  • Glossary of Organic Class Names
    Class names of organic compounds and reactive intermediates based on structure.
  • Organic Compounds Database
    This database has a search engine that allows you to find organic compounds based on physical properties such as melting and boiling points, molecular weight, index of refraction, formula, and spectral data.
  • Organic Chemistry Resources Worldwide
    An intuitive Internet resource guide for synthetic organic chemists.
  • PubChem
    "PubChem contains the chemical structures of small organic molecules and information on their biological activities... PubChem is organized as three linked databases within the Entrez/PubMed information retrieval system. These are PubChem Substance, PubChem Compound, and PubChem BioAssay. PubChem also provides PubChem Structure Search You can search for compounds, structures, bioassays using either text or structure searching..."
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Photochemistry

  • European Photochemistry Association (EPA)
    The Association encompasses aspects of numerous areas related to the interdisciplinary character of photochemistry such as photophysics, photography, photobiochemistry, spectroscopy and radiation chemistry.
  • Inter-American Photochemical Society
    The Inter-American Photochemical Society has over 500 members in academia, industry, and government throughout North and South America.
  • Photobiology Online
    A cooperative presentation of the European and American Societies for Photobiology.
  • Photochemistry Database
    On line collection of current literature in photochemistry and related fields for 1996 and 1997.
  • Photosynthetic Reaction Centres of Purple Bacteria
    Includes prosthetic group features, scheme of electron transfer in photosynthetic membranes, photosynthetic reaction centres (PRC) in motif databases, PRC in alignment databases, PRC in 3-D databases, references.
  • Photochemistry at the RCDC
    “The scope of the mission of the Radiation Chemistry Data Center (RCDC) was expanded in 1978 to include the collection of papers containing quantitative data on photophysical and photochemical processes. … Data compilations currently derive from three main areas: Excited (Organic) Triplet States, Metal Complex Excited State Quenching, and Singlet Molecular Oxygen.”


    See also Physical Chemistry below.
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Physical Chemistry

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Properties / Reactions / Data

  • CAS Number Search
    Allows you to search by CAS number and find extensive information about chemicals including molecular weights, synonyms, structure, and spectras, either mass or infrared.
  • ChemExper Chemical Directory
    Can be searched by registry number, molecular formula, chemical name or synonyms. Also searchable by properties like melting point, density, refractive index, etc. Has an easy-to-use structure/substructure search feature. Provides physical and chemical characteristics and structures. Some MSDS and supplier information is also included.
  • ChemFinder Searching
    A search engine that allows you to search for chemicals by name, formula, molecular weight, melting point, boiling point, CAS registry number, or structure. It gives references to EPA codes, DOT number, and RTECS number, as well as links to additional property and regulatory information.
  • ChemIDplus
    “ChemIDplus is a database of 367,975 chemical records, including over 203,000 with structures. Locator links allow immediate searching of other databases for information about a given chemical. … A new ChemIDplus Lite version is available for Name and RN searching without the need for plugins or applets. “
  • Landolt-Börnstein
    Includes the complete Tables of Contents of all Landolt-Bornstein volumes published. Free access to the fulltext of 129 subvolumes out of a total 147 subvolumes published up to 1990 is available for the year 2000 as part of Springer-Verlag's Millennium Campaign. To access the fulltext, complete the Link Access Registration Form to get a special test access code used for fulltext access authorization. Fulltext files are in PDF.
  • Materials Properties Locator Database
    Database created by the Science and Engineering Library of the State University of NY at Buffalo; matches properties data (mechanical, physical, electrical, thermal, etc.) with reference books.
  • NIST Chemistry WebBook
    A great site that allows you to search for chemicals by name, molecular weight, full or partial molecular formulas, CAS registry number, ionization energy, or proton affinity. Lots of information available about chemicals, including regulatory information and pointers to other sources of information.
  • NIST Data Gateway
    A listing of over 70 free searchable property databases available from NIST. Includes spectral, solubility, ceramic, and x-ray data.
  • Physical Reference Data
    From the NIST Physics Laboratory. Several online databases in the areas of physical constants, atomic and molecular spectroscopic data, and x-ray and gamma-ray data are listed on this page.
  • Sigma-Aldrich Product search
    There is a lot of information available at this site, such as Synonyms, Molecular Formula, Molecular Weight, CAS Number, Density, EC Number, Melting Point, Boiling Point, Refractive Index, Flash Point, and NMR, IR and Raman spectra. Searchable by name, molecular formula etc. Access to MSDS information requires registration, but it’s free.
  • SOLV-DB (Solvents Database)
    The purpose of SOLV-DB is to help you find a wide variety of data on solvents quickly and easily.
  • ThermoDex
    This database contains records for over 100 printed handbooks and compilations of thermodynamic and thermophysical data for chemical compounds. It enables you to enter both a type of compound and a property, and will return a list of books that may contain this data. Caution: All of these items may not be available at ANL, and if they are, the call numbers may be different.

 


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