Chemistry

Chemical Data Sources

• Britannica Online
  The Web version of the Encyclopaedia Britannica is an excellent source for general articles on scientific topics, and for biographical articles on noted scientists. Articles contain the full text of the print encyclopedia, as well as links to some relevant Web sites outside Britannica.

• NIST Reference on Constants, Units and Uncertainty
  This National Institute of Standards and Technology has a searchable and browsable list of the important physical constants with bibliography, as well as a thorough description of the SI system of units and a description of methods of expressing degree of uncertainty in measurements. An excellent reference site.

• The Laws List
  This collection of laws, rules and constants in physics, compiled by Erik Max Francis, includes a number of interest in physical chemistry, e.g. the gas laws, Rydberg formula, etc.

• WebElements
  WebElements is a hypertext-linked collection of property data on the first 112 elements (and growing...) including (where available): general, chemical, physical, nuclear, electronic, biological, geological, crystallographic, reduction potential, isotopic abundances, electronic configurations, ionization enthalpy data and additional textual information, especially on the history of the elements.

• Visual Elements Periodic Table
  This site, created by the Chemical Society, is notable for its artistic displays of each element and "periodic landscapes" - computer generated three-dimensional images of various physical properties of the elements. A history of the periodic table is included, as well as basic physical properties of each element (the latter require an Adobe Acrobat reader.)

• Table Of The Nuclides
  The Table of the Nuclides (created by the Korea Atomic Energy Research Institute and mirrored at Brookhaven National Laboratories in the US) first presents a map of all known nuclides. Each horizontal row represents one element; colored dots indicate the known isotopes of that element. A vertical column represents the nuclides with same neutron numbers. By clicking on a region of the chart, you may see a more detailed chart section. From the colors on the chart, you can get an idea of the life time of a nuclide. By clicking on a cell, you can get properties of the nuclide or atom. For additional nuclear data, see the National Nuclear Data Center site.

• NMR Periodic Table of the Elements
  This is a compilation of magnetic resonance data on the elements in periodic table form, compiled by the NMR facility at Texas A&M University. See also the Magnetic Resonance Periodic Table of the University of Illinois Biomedical Magnetic Resonance Laboratory.

• NIST Online Physical Data
  This site contains links to the NIST collections of physical data which have so far been made available over the web, plus a catalog of other NIST data collections.

• NIST Chemistry Webbook
  The NIST WebBook will provide access to the full array of data compiled and distributed by NIST under the Standard Reference Data Program. The current edition, the Chemistry WebBook, contains, among other data:
  (1) Thermodynamic data on an extensive set of organic and small inorganic compounds - Enthalpy of formation, Heat capacity and Entropy for over 6000 compounds.
  (2) A large set of ion-energetics data - Ionization potential and Appearance potential for over 16,000 compounds.
  (3) IR spectra, mass spectra and electronic/vibrational spectra data for thousands of compounds.
  (4) Reaction thermochemistry data for over 9000 reactions.
  (5) Constants of diatomic molecules (spectroscopic data) for over 600 compounds.
  (6) Thermophysical property data for 33 fluids
  Data on specific compounds may be located by name, formula or CAS Registry Number.

• ChemFinder WebServer
  This database, provided by CambridgeSoft, provides basic physical data and links to websites containing other data for a large number of chemical compounds. It is searchable by name, molecular weight, molecular formula, CAS Registry Number or structure (using a Java applet or plugin).

• WWW Chemical Structures Databases
  This set of databases, created by the Computer Chemistry Center at the University of Erlangen, includes the WWW Chemical Structure Database, containing more than 2250 automatically collected chemical structures from the Internet, complete with information about the referring HTML pages. It is searchable by name, CAS Registry Number, molecular formula and other data, as well as by structure (uploaded in SMILES string format). Also available are collections of 3D structure coordinates, GIF and VRML renditions of molecules and more. An excellent site.

• CODATA Key Values for Thermodynamics
  The Committee on Data for Science and Technology (CODATA) has conducted a project to establish internationally agreed values for the thermodynamic properties of key chemical substances. This table presents the final results of the project. Use of these recommended, internally consistent values is encouraged in the analysis of thermodynamic measurements, data reduction, and preparation of other thermodynamic tables. The table includes the standard enthalpy of formation at 298.15 K, the entropy at 298.15 K, and the quantity H ° (298.15 K)-H °(0). A value of 0 in the Delta_fH ° column for an element indicates the reference state for that element. The standard state pressure is 100000 Pa (1 bar).

• Organic Compounds Database
  This database, compiled at Virginia Tech and made available by Colby College, provides physical data on a large number of organic compounds, including molecular weight, melting point, boiling point, index of refraction and UV absorption peaks. It is searchable by name, molecular formula or by data values for the above properties.

• Table of the Properties of 200 Linear Macromolecules and Small Molecules
  This resource, maintained by Oak Ridge National Laboratory and the University of Tennessee - Knoxville, tabulates selected thermophysical properties for a variety of polymers and some other substances. Properties are primarily related to glass-amorphous transitions, specific heats, etc. The tables are a bit hard to decipher, but there are good explanations.

• SOLV-DB
  SOLV-DB is a database of physical, chemical, health and safety, regulatory and environmental fate data on over 100 common organic solvents, provided by the National Center for Manufacturing Sciences. It is searchable by name, formula, CAS Registry Number, property data values and so forth.

• The Good Scents Co. Information Index
  This commercial site includes an information index on a wide variety of compounds used in the perfumery industry. The index is divided into categories, such as "essential oils" and "perfumery raw materials (synthetic)". Within each category, compounds are listed alphabetically (using ASCII alphabetization, so compounds whose names begin with "(+)", "(-)" or numbers gravitate to the top of the lists. Compound records give synonyms, descriptions of aroma and perfumery uses, and CAS RN's, and physical property data (density, mp, bp) where available. Unfortunately, the index is not searchable by name or by property, which would enhance its value tremendously, but the site is crossreferenced from Chemfinder (see above), so indirect searching is possible. Still, its information on compound odors is perhaps unique on the Internet.

• IUPAC Chemical Nomenclature
  This site, created by G.P. Moss of Queen Mary and Westfield College, contains a number of IUPAC documents on organic and biochemical nomenclature, in many cases including sample structure diagrams.

• IUPAC Nomenclature of Organic Chemistry
  Another good nomenclature site, easily browsable and searchable, provided by Advanced Chemistry Development (ACD) Inc.

• Hazardous Chemicals Database
  This database, created at the University of Akron, will allow the user to retrieve information for any of over 1300 hazardous chemicals based on a keyword search. Potential keywords include names, formula and registry numbers (CAS, DOT, RTECS and EPA).

• ECDIN - Environmental Chemicals Data Information Network
  ECDIN is a factual databank, created under the Environmental Research Programme of the Joint Research Centre (JRC) of the Commission of European Communities at the Ispra Establishment. Chemicals are searchable by name, molecular formula or CAS Registry Number. Possible available date include: Identification, Physical-Chemical Properties, Production and Use, Legislation and Rules, Occupational Health and Safety, Toxicity, Concentrations and Fate in the Environment, Detection Methods, Hazards and Emergency. Not all chemicals listed will have data in all fields.

• Thermodex
  While this web site does not actually list thermophysical or thermochemical data, it is an extremely useful index to such data available in a host of printed data collections (excluding Beilstein, Landolt-Bornstein, the CRC Handbook and Perry's Handbook), searchable by name of property, class of compound, specific compound or combinations of the above. Thermodex is the creation of the Library of the University of Texas at Austin.

• Integrated Spectral Data Base System (SDBS)
  This site, from the National Institute of Materials and Chemical Research in Japan, contains full spectra and, in many cases, peak assignments for 30,000 compounds, including about 19,600 mass spectra, 11,000 ¹³C NMR, 13,500 proton NMR, 47,300 IR, 3,500 Raman and 2,000 ESR spectra. The database is searchable by compound name, CAS Registry Number, molecular formula and NMR or IR peaks. The database is free to the public, but users are asked to download no more than 50 spectra per day without specific permission of the site owners.

• Spectroscopic Tools
  This site, based at the University of Potsdam, allows the user to plug in IR peaks in wavenumbers, proton NMR peaks or mass spectral peaks and retrieve a list of the functional groups which would generate those peaks. It also has a 13C NMR database, searchable by peak or chemical name fragment, which can retrieve structures, spectra, peaks and peak assignments. Some features require the Chime browser plugin.

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Materials Safety Data Sheets Sites

• MSDS related links from University of Georgia
  This web site contains a list of MSDS web sites from a variety of sources.

• MSDS from Vermont SIRI
  This site from Vermont Safety Resources on the Internet contains a searchable collection of MSDS from a variety of chemical manufacturers. It also includes a large collection of links to other Web MSDS sites. Vermont SIRI also maintains a good collection of links to other health and safety sites on the Vermont SIRI Web Site.

• MSDS from PTCL in Oxford, U.K.
  This Web site contains an alphabetically grouped collection of MSDS from a variety of sources. The collection is maintained by the Physical and Theoretical Chemistry Laboratory at the University of Oxford.

• MSDS-SEARCH
  This site is maintained by Envirocare International, Inc. It is a free service bringing together MSDS's from a wide range of chemical manufacturers (over 1000 manufacturers as of 6/99) and public databases. The site includes a glossary of MSDS terminology and links to sites which explain the how and why of MSDS's

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University Chemistry Department WWW sites

More information about many programs in the United States and Canada may be found in the ACS Directory of Graduate Research. The 1999 version is available at DGRWeb.

For rankings of Ph.D chemistry programs in the U.S., see the U.S. News and World Report rankings, last updated for chemistry in 1999. Rankings are given for chemistry in general and for the specialties of analytical, bio-organic/biophysical, inorganic, organic, physical and polymer chemistry. Biochemistry and Molecular Biology departments are listed separately.

University of California at Santa Barbara Department of Chemistry and Biochemistry (DGRWeb listing)

• Interdisciplinary Program in Biochemistry and Molecular Biology

Other California Universities

Other U.S. Universities

Universities Outside the United States

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Super Sites

These are major collections of World Wide Web information in chemistry. Some of the sources they link to may duplicate each other or the Infosurf Chemistry Page, but you will also find unique resources. If you spot any resources that you think should receive their own listings here, contact Chuck Huber (huber@library.ucsb.edu)

• Australian Chemistry Network -- OzChemNet
  
• BioLinks
  This biochemistry resource collection is from the Biochemistry and Molecular Biology Department at Harvard University.
• ChemDex from the University of Sheffield
  ChemDex is one of the premier collections of chemistry sites on the Web, extremely comprehensive and well organized. See also ChemWeb below.
• Chemie.de
  An excellent recently developed site with a huge collection of links organized by subject class (unfortunately, the links are identified by the page title, which isn't always very descriptive), as well as a nice collection of online tools like a molecular mass calculator, chemical software links, and job and conference listings.
• ChemInfo from Indiana University: CIS-IU
  This site, created by Gary Wiggins, chemistry librarian at Indiana University, is excellent, especially for chemical information instruction resources.
• chemistry.org
  This is a portal of Web resources from the American Chemical Society -- an excellent resource for ACS members, and non-members as well.
• Chemistry : Yahoo
  Yahoo's hierarchical collection of chemistry resources is extremely large, if not very selective or well-maintained.
• chemsoc
  This site from the Royal Society of Chemistry in Great Britain, provides a wide range of chemical resources, especially links to academic, educational and scholarly society web sites, and a list of forthcoming conferences and events.
• ChemWeb.com
  This site is an "Internet club for chemists", containing chat rooms, forums, a "shopping mall" with links to suppliers, a "library" with full-text journals from various publishers and databases from MDL Information Systems, Inc., job postings, its own online magazine for chemists (The Alchemist) and other services. ChemWeb now includes ChemDex Plus, a searchable version of the excellent Sheffield ChemDex site. Members must register, but membership is free.
• EInet: Chemistry
  Another hierarchically organized collection; like Yahoo, it is large but not well maintained.
• German Chemical Resources: WWW Virtual Library from Karlsruhe
  As the name implies, this site focuses on Internet chemical resources based in Germany. Available in both German and English versions.
• INFOMINE Physical Sciences from UC-Riverside
  Not one of the largest physical science sites, but notable for its use of assigned subject headings and keywords for better searching of the resource database.
• Information Retrieval in Chemistry
  This interesting site, maintained at the Institute of Physical Chemistry, NCSR "Demokritos" in Athens, Greece, is notable for its detailed subject classification of the numerous sites to which it links.
• Latinamerican Chemistry Web (English version)
  This site is sponsored by the Organization of American States and hosted by CINVESTAV in Mexico. It is especially good for addresses and contacts for Latin American universities and has a host of useful links. It is also available in a Spanish language version.
• Links for Chemists
  A superb collection of links maintained by Prof. Michael Barker at the University of Liverpool Department of Chemistry. "Links" is notable for its comprehensiveness, frequent updating and identification of new links. It is now the chemistry section of the "WWW Virtual Library."
• NIST Virtual Library Chemistry Subject Guide
  This guide to chemistry Web resources from the National Institute of Standards and Technology is not huge, but does contain a few unique links.
• Rolf Claessen's Chemistry Index
  This is a very comprehensive, frequently updated collection of links covering all areas of chemistry.
• SciQuest
  SciQuest provides a searchable and browsable collection of links to a vast number of chemical and equipment suppliers. Users may enter as guests, or register as members free of charge.
• Thermodynamic Data and Property Calculation Sites on the Web
  An extensive collection of thermodynamic data Web sites from the Thermodynamics Research Lab at the University of Illinois at Chicago.
• Wendy Warr & Co.
  This web site for the consulting firm operated by renowned chemical information specialist Wendy Warr includes links to excellent collections of information on current meetings, combinatorial chemistry and chemical structure information on the Web.