Chemistry Databases and Related Information

Chemical Education Resource Shelf
This archive, based at the University of Missouri-St. Louis, contains a comprehensive list of chemistry textbooks in print and links to publishers. This service was formerly called "Chemistry Textbooks in Print".
Search a six-month subset of the ChemInform database for free as a demo of the full product available on CDROM
CHMINF-L Archives
Hypermial Archive of the popular CHMINF-L (chemical information) List
Fullerene Database
A database, maintained at the University of Arizona, of references in the ever-growing Fullerene literature. To access this database, after initiating the telnet session, login as sabio; then select other databases and remote libraries followed by a selection of Buckballs database
Gaussian Basis Set Order Form
A form-based database search provides Contracted Gaussian basis sets for ab initio calculations
International Union of Pure and Applied Chemistry (IUPAC)
A number of IUPAC's nomenclature references and glossaries are available in full hypertext.
Journal of Chemical Physics (JCP Express)
The JCPExpress is a free trial service for electronic distribution of preprints of manuscripts between acceptance and publication in the Journal of Chemical Physics. A description of the project is available.
Periodic Table of the Elements
The name says it all
Protein Database
A protein database maintained at Brookhaven National Laboratory
Thermodynamic data and property calculation sites
US Chemistry Graduate Programs
an alphabetic listing of Graduate programs in the us. Also available by state.
2D and 3D Structural Information
Collections from NCI of 2D and 3D structural information on almost half a million compounds.
Database of chiral compounds

Electronic Journals

Chemistry World-Wide Web Sites

General Interest Sites

Chemical Physics Preprint Database
This database is a joint effort by the Department of Chemistry at Brown University and the Theoretical Chemistry and Molecular Physics Group at the Los Alamos National Laboratory. It is intended to provide a means for rapid and efficient preprint distribution within the international chemical physics community. It has been made possible by funding from the Camille and Henry Dreyfus Foundation.
Computational Chemistry List
The home page for the computational chemistry list. It includes pointers to the list archives which can be searched.
XMol Information
Online user's guide to XMol, which is program for displaying 3D molecular models on an X11 display server.
SCARECROW Information
A Description of the program SCARECROW which allows for the graphical display and analysis of molecular dynamics trajectories.
MIME Types for Chemistry
A proposal for defining a MIME type for chemistry, to allow for the transfer of molecule definitions, geometries, properties, etc. The original Chemistry Mime Proposal is also available.
American Chemical Society
The ACS finally has hit the WWW; the site contains membership and division information. Also a schedule of meetings and deadlines.
NIH Molecular Modeling Home Page
Provides a centralized source of information to the NIH research community concerning all facets of molecular modeling. This includes "Molecules 'R' Us", a very nice forms-based interface to the Protein Data Bank.
Theoretical Chemistry Postdoctoral Clearinghouse
A postdoctoral clearinghouse run by the Theoretical Section of the Physical Chemistry Division of the American Chemical Society.
World Association of Theoretical Organic Chemists (WATOC)
A home page for WATOC includes information on past and future conferences
Scientific Visualization and Graphics
Not specifically geared towards chemists, this page is a compilation of scientific visualization information
Demonstration of ACS Abstract submission
A real eye-opening experience of how abstract submission to ACS meetings (and any other meeting) should be handled. You will need a viewer that can handle forms, like Mosaic 2.4.
Hyperactive Molecules and the World-Wide Web
This paper, to be published in J. Chem. Soc., Perkin Trans 2, discusses the principle of hyperactive molecules.
The Wilson Group
An experimental server displaying the recent happenings and research interests of Professor Kent Wilson and his research group at the University of California, San Diego. This is an excellent example of how the web can be used to provide up-to-date information on a research group.
Definition of the CXF standard
An html version of the definitions of the recently proposed standard for molecular definition files.
Journal of Molecular Modeling
The home page of the first electronic chemistry journal dedicated to rapid publication in the area of molecular and materials modeling.
A nice front end page to a variety of NMR information on the web.
International Society for Heterocyclic Chemistry
Contains information on the society. Also has the home page for The Royal Society of Chemistry Perkin Division Heterocyclic Group.
AMBER Home Page
Information on the AMBER molecular modeling program. Includes a detailed description of the algorithm and methods incorporated in AMBER, bug fixes, support, news groups, the license, and how to obtain the code.
GAMESS Home Page
Information on the GAMESS ab initio program, including a PowerMac version. The license and information on how to obtain the code are provided.
EMSL Ab Initio Benchmark Report
A comprehensive review of ab initio code performance on a variety of hardware platforms - sort of the Consumers' Report Guide to Ab Initio Codes.
Amazing Science at the Roxy
A collection of text, graphics and videos rel;ating to chemistry and physics demos, particularly for the younger, future chemist crowd. Some nice HTML work, also.
Medchem/Biobyte WWW Server
A very interesting web site, based on a collaboration between Pomona College, Biobyte, Daylight Information, and the Medicinal Chemistry Project. This site contains, among many useful resources, a hypermail/glimpse index to the Computational chemistry List archives, a searchable chemical names archive, and email access to some of Daylight's commercial products (for free) .
Journal of Biological Chemistry
An online version of the Journal of Biological Chemistry, including full-text and a search facility.
AMSOL homepage
Technical description of the AMSOL program, release notes, and information on how to obtain the code
Technical description of the MORATE and POLYRATE programs, release notes, and information on how to obtain the codes
Chemistry Education resources
A compilation of chemical education resources on the Internet
The Electrochemical Society
Information on the operations and activities of the Society, including their conference schedule. Of interest is their initiatives towards electronic abstract submissions.
North American Catalysis Society
Theory of Atoms in Molecules
A nice example of using the web as an educational tool - here is a brief overview of Bader's topological electron density method, prepared by Bader himself. More work like this on the web would bring about an outstanding reference series!
Chemistry Today
A chemistry resource containing news features, job listings, and meetings
A borad listing of industrial services, jobs listings, and product guides
Dreyfus Foundation
The web site of the Camille and Henry Dreyfus Foundation describing the awards and grants programs
Chemical Heritage Foundation
The history of chemistry and chemical engineering: announcements of new publications on the history of chemistry, abstracts of oral histories in the Othmer Library of Chemical History, etc. Note also under the Othmer Library that research questions on chemical history can be sent to the Research Historian at the Othmer Library.
North American Chapter of the International Chemometrics Society
Nomenclature of Organic Chemistry
This is the HTML reproduction of Sections A, B and C of IUPAC "Blue Book" [see Nomenclature of Organic Chemistry, Sections A, B, C, D, E, F, and H, Pergamon Press, Oxford, 1979. Copyright IUPAC.] Hosted by Advanced Chemistry Development, Inc.
An introduction to chemistry for young children
Chemistry Behind Cleaning
Basic understanding of the chemistry of cleaning, and how scientists develop new cleaning products.

Commercial Sites

Software for NMR, LogP, and boiling Point prediction with online trials. Also an online copy of the Nomenclature of Organic Chemistry
ACS Publications
Information on all ACS Publications, including books and journals. Includes instructions to authors for submitting articles and supplementary material for some journals.
Advanced Visual Systems
Information on AVS products, which are used for scientific visualization.
American Elements
The company produce advanced materials for governments, universities and national labs, but their website also describe the research and uses of each of the elements, including properties, safety data and applications
molecular model construction kits
Baltzer Science Publishers
Beckman Instruments
Beilstein Information Systems
CAS WWW Server
An online source of information about the Chemical Abstracts Service (CAS). Current STN users can access the databases though a link on the Product and Services Page.
Cambridge International Science Publishing
Check out the ChemFinder resource, a chemical search of the web!
Bedoukian Research Inc.
Chapman and Hall
Chemical Computing Group
Provide the Molecular Operating Environment
Chemical Concepts
Chemical Sources
ChemInnovation Software
ChemKey Database
ChemTech Publishing
Dialog Information Services, Inc.
An online source of information on Dialog products, including a searchable list of databases, publications, and an FAQ.
Dow Chemical Company
Description of the company and some of their educational outreach programs
Eastman Chemical Company
Elsevier Sciences
Fisher Scientific
The Fischer Catalog of Analytical and Biotech reagents is online, including prices, specifications, and MSDS.
Hitachi Instruments
Hoechst AG
Hypercube, Inc.
Includes product description, demo software, and FAQ
Indigo Instruments (molecular models, chemistry clipart)
Karl Kurt Juchheim Laborgeräte GmbH
Eli Lilly and Company
MDL Information Systems
Currently contains the free version of ISI/DRAW
Mettler-Toledo Inc.
Currently offers a nice page on Thermal analysis, including product descriptions and a forum on Thermal analysis, which is a unique and herlp
Millipore Corporation
Molecular Simulations
Nalco Chemical Company
Pharm-Eco Laboratories
Phoenix Polymers, Inc.
Includes an excellent list of pointers to polymer resources on the Internet.
Description of the databases provided by Questel/Orbit. Registered users can access the databases through a link on this page.
Rohm and Haas Company
Schrödinger, Inc.
Include an online version of Aldrichimica Acta
Ullmann's Encyclopedia
VCH Publishing Group
Wavefunction, Inc.

University Web Sites

Department of Chemistry, University of Alabama at Birmingham
University of Alaska Fairbanks
Department of Chemistry, University of Alberta
Department of Chemistry, Free University of Berlin
Department of Chemistry, Bishop's University
Chemistry Department, Brigham Young University
Chemistry Department at Brown University
CAOS/CAMM Center, The Netherlands
Department of Chemistry, Case Western Reserve University
College of Chemistry, University of California, Berkeley
Chemistry Department, University of California, Davis
Chemistry Department, University of California, Irvine
Department of Chemistry and Biochemistry, University of California, Los Angeles
Department of Pharmaceutical Chemistry, University of California, San Francisco
Institute of Chemistry at the State University of Campinas (UNICAMP)
Chemistry Department, University College (UNSW) in Canberra
Center for Scientific Computing
University of Cincinnati
Department of Chemistry, Columbia University
Department of Chemistry, Dalhousie University
Department of Chemistry, Duke University
Durham Chemistry Department
Department of Chemistry, East Carolina University
Department of Chemistry, ETH
Department of Chemistry, Imperial College
Department of Chemistry, Harvard University
Department of Chemistry, Indiana University at Bloomington
Department of Chemistry, Indiana University-Purdue University Indianapolis
Laboratorium for Organic Synthesis Hoornaert, Katholieke Universiteit Leuven
Department of Chemistry, University of Kentucky
School of Chemistry, Leeds University
Department of Chemistry, Leiden University, Netherlands
University of Liverpool, Department of Chemistry
CTI Centre for Chemistry (based in the University of Liverpool Chemistry Department)
Department of Chemistry, Louisiana State University
Department of Crystallography, Birkbeck College, University of London
Department of Chemistry, University of Memphis
Michigan Molecular Institute
Department of Chemistry, University of Minnesota
Department of Chemistry, University of Mississippi
Chemistry Department, State University of New York, Stony Brook
Northern Illinois University Department of Chemistry, Ohio University -->
Department of Chemistry, Ohio University
Department of Environmental Science and Engineering, Oregon Graduate Institute
Department of Chemistry, University of Oregon
Department of Chemistry, University of Reading
Department of Chemistry, Rensselaer University
Department of Chemistry, University of Rhode Island
Department of Chemistry, University of Rochester
University of Sheffield
Department of Chemistry, University of South Florida
Department of Chemistry, University of Toronto
Department of Chemistry, Tulane University
Department of Chemistry, Utah State University
Institute of Analytical Chemistry at the Vienna University of Technology
Department of Chemistry, Virginia Tech
Department of Chemistry, Washington University
Department of Chemistry, University of the West Indies
Department of Chemistry, West Virginia University

Government Web Sites

Ames Laboratory, Materials Chemistry Program
Brookhaven National Laboratory Chemistry Department

Other Lists of Chemistry Resources on the Internet

Gary Wiggins' "Some Chemistry Resources on the Internet"
Gary Wiggins has compiled one of the most complete lists of internet resources for chemists
Educational chemistry resources on the world wide web
A list of pointers to teaching resources, journals, community activities, courses, etc.
The WWW Virtual Library: Chemistry
A very comprehensive list of Chemical internet sites
Yet another list of WWW, ftp and gopher sites of interest to chemists - this one is well organized by geographical region
WWW Links for Chemists
Includes a comprehensive list of UK Universities
Rolf Claessen's Chemistry Index
Yet another index of chemistry sites, this one is bilingual: english and german

Molecular Modelling / Visualisation Resources

Chemistry Pictures @ Swedish University Network SE
Chemist's Art Gallery @ CSC FI
Chime Pages @ Dublin City IE
Chime Resources @ Uni. Massachusetts US
BioMolecular Tutorials in Chime
Chemical Bonds, Molecular Shapes, and Molecular Models @ Eastern Oregon US
Introduction to Molecular Modelling @ Brunel UK
Med. Chem. Feature Molecule @ Virginia Commonwealth Uni. US
Molecule Library UK
Molecular Modelling Techniques @ Geneva CH
Molecule of the Month @ Bristol UK
Molecules of the Month @ Oxford UK
RasMol & Chime: Molecular Visualization Freeware @ U. Massachusetts US
Visualization Homepage @ Fribourg CH
The Molecular Modeling Electronic Conference TMMeC MY
The WWW Chemical Structures Database @ Erlangen DE
VRML - Virtual Reality Modeling Language @ Université du Maine FR
Web Molecules in VRML @ Molecular Arts US

Chemistry Web Developments

Electronic Publishing takes Journals into a New Realm
Chemical and Engineering News article from the May 18, 1998 issue on electronic journals.
Internet Journal of Chemistry
A new electronic journal dedicated to publishing chemistry in the Internet. The entire journal is structured to take advantage of the electronic publishing medium to enhance the communication of chemical research. An article describing the design of the journal Designing the Next-Generation Chemistry Journal: The Internet Journal of Chemistry is published in Issues in Science & Technology Librarianship.
NIST WebBook
A collection of chemical data collected by NIST. Search the database by chemical formula, name, or molecular weight. Obtain thermochemical data (for over 4000 organic and small inorganic compounds) for the gas and liquid phase, proton affinities, and more. Also contains IR and NMR data, which are viewed through interactive Java applets.
Proceedings of the Second Electronic Computational Chemistry Conference
This is an online version of the official Proceeding of the Second Electronic Computational Chemistry Conference which was held on the Internet in November 1996. The Proceedings are published in the Journal of Molecular Structure (THEOCHEM), 1996, volume 368 and reproduced online for free. The online version includes materials not contained in the printed version, such as color graphics, video, VRML, and hypermolecules.
Beilstein Information Systems offers a fast search engine to the organic literature. This free service (for six months) allows the end-user to search titles, authors and abstracts and returns the entire citation along with the abstract!
Chemscape Chime
A Netscape Navigator Plug-in module that allows the user to view and manipulate chemical strcutures within an HTML page. Developed by MDL
Fetch and Sketch
A Java applet that allows drawing a 2D chemical structure and then search a database. Developed by Silicon Graphics and Tripos. Also available at the Tripos site.
KR ScienceBase
A html front-end to the Dialog system. You must register to actually view the hits, but you can get the idea of the utility and design of the system without paying anything.
Daylight Chemical Information System
A very nice html and cgi front-end to the Daylight chemical databases. Free access to a limited subset of the Daylight systems are available.
2D-Plots of chemical structures on demand
A form based entry system to obtain a GIF or PNG image of a chemical structure. Very nice. Designed by Wolf-D. Ihlenfeldt
Publishing Chemistry on the Internet
A description of how chemistry publications may evolve in the future, making use of Chime, VRML, and MIME. Published in the e-journal NetSci.
Chemical Patents Plus
Chemical Patents available from CAS - with a twist, structures are available via a Java Applet.
Tetrahedron Information System
Online access to the Tetrahedron journals, including full text. Available for free through June 1996
Best of the Web - Chemistry - 1996
Our annual compilation of the best web sites in chemistry, as presented at the ACS Computers in Chemistry Division's electronic poster session at the Fall 1996 National ACS meeting
WebLab Viewer
MSI's molecular viewer available for free for Mac and Windows
Tripos Molecular Inventor Plugin Module
this plugin for Netscape Navigator and MS Internet Explorer allows SGI users to visualize molecules utilizing the Open Inventor environment, allowing one to cut-and-paste "active" molecules between applications - very nice implementation and truly innovative technology
Oxford's Virtual Reality Group
A peak at the virtual future - virtual laboratories, VRML applications, etc. Be prepared - you'll need Netscape 3.o or Internet Explorer 3.0, QuickTime VR, Shockwave, and a VRML viewer.
David Bradley's Elemental Discoveries
A science writer's web magazine featuring new chemistry developments, written for the educated lay person. Recent issues include nice application of Chime, including side-by-side rotating enantiomers.