Chemical Data Sites

Chemical Education Resource Shelf
2D and 3D Structural Information
2D-Plots of chemical structures on demand
A borad listing of industrial services, jobs listings, and product guides
A chemistry resource containing news features, job listings, and meetings
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.
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.
A compilation of chemical education resources on the Internet
A comprehensive review of ab initio code performance on a variety of hardware platforms – sort of the Consumers’ Report Guide to Ab Initio Codes.
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
A description of how chemistry publications may evolve in the future, making use of Chime, VRML, and MIME. Published in the e-journal NetSci.
A Description of the program SCARECROW which allows for the graphical display and analysis of molecular dynamics trajectories.
A form based entry system to obtain a GIF or PNG image of a chemical structure. Very nice. Designed by Wolf-D. Ihlenfeldt
A form-based database search provides Contracted Gaussian basis sets for ab initio calculations
A home page for WATOC includes information on past and future conferences
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.
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.
A list of pointers to teaching resources, journals, community activities, courses, etc.
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.
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!
A nice front end page to a variety of NMR information on the web.
A number of IUPAC’s nomenclature references and glossaries are available in full hypertext.
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.
A postdoctoral clearinghouse run by the Theoretical Section of the Physical Chemistry Division of the American Chemical Society.
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.
A protein database maintained at Brookhaven National Laboratory
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.
ACS Publications
Advanced Visual Systems
Amazing Science at the Roxy
AMBER Home Page
American Chemical Society
American Elements
Ames Laboratory, Materials Chemistry Program
AMSOL homepage
an alphabetic listing of Graduate programs in the us. Also available by state.
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.
An html version of the definitions of the recently proposed standard for molecular definition files.
An introduction to chemistry for young children
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.
An online source of information on Dialog products, including a searchable list of databases, publications, and an FAQ.
An online version of the Journal of Biological Chemistry, including full-text and a search facility.
Baltzer Science Publishers
Basic understanding of the chemistry of cleaning, and how scientists develop new cleaning products.
Beckman Instruments
Bedoukian Research Inc.
Beilstein Information Systems
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!
Best of the Web – Chemistry – 1996
Bioinorganic Chemistry Subdivision
BioMolecular Tutorials in Chime
Brookhaven National Laboratory Chemistry Department
Cambridge International Science Publishing
CAOS/CAMM Center, The Netherlands
CAS WWW Server
Center for Scientific Computing
Chapman and Hall
Check out the ChemFinder resource, a chemical search of the web!
Chemical and Engineering News article from the May 18, 1998 issue on electronic journals.
Chemical Bonds, Molecular Shapes, and Molecular Models @ Eastern Oregon US
Chemical Computing Group
Chemical Concepts
Chemical Heritage Foundation
Chemical Patents available from CAS – with a twist, structures are available via a Java Applet.
Chemical Patents Plus
Chemical Physics Preprint Database
Chemical Sources
ChemInnovation Software
Chemistry & Industry
Chemistry Behind Cleaning
Chemistry Department at Brown University
Chemistry Department, Brigham Young University
Chemistry Department, State University of New York, Stony Brook
Chemistry Department, University College (UNSW) in Canberra
Chemistry Department, University of California, Davis
Chemistry Department, University of California, Irvine
Chemistry Education resources
Chemistry Pictures @ Swedish University Network SE
Chemistry Today
Chemistry Web Developments
Chemistry World-Wide Web Sites
Chemist’s Art Gallery @ CSC FI
ChemKey Database
Chemscape Chime
ChemTech Publishing
Chime Pages @ Dublin City IE
Chime Resources @ Uni. Massachusetts US
CHMINF-L Archives
Collections from NCI of 2D and 3D structural information on almost half a million compounds.
College of Chemistry, University of California, Berkeley
Commercial Sites
Computational Chemistry List
Contains information on the society. Also has the home page for The Royal Society of Chemistry Perkin Division Heterocyclic Group.
CTI Centre for Chemistry (based in the University of Liverpool Chemistry Department)
Currently contains the free version of ISI/DRAW
Currently offers a nice page on Thermal analysis, including product descriptions and a forum on Thermal analysis, which is a unique and herlp
Database of chiral compounds
David Bradley’s Elemental Discoveries
Daylight Chemical Information System
Definition of the CXF standard
Demonstration of ACS Abstract submission
Department of Chemistry and Biochemistry, University of California, Los Angeles
Department of Chemistry, Bishop’s University
Department of Chemistry, Case Western Reserve University
Department of Chemistry, Columbia University
Department of Chemistry, Dalhousie University
Department of Chemistry, Duke University
Department of Chemistry, East Carolina University
Department of Chemistry, ETH
Department of Chemistry, Free University of Berlin
Department of Chemistry, Harvard University
Department of Chemistry, Imperial College
Department of Chemistry, Indiana University at Bloomington
Department of Chemistry, Indiana University-Purdue University Indianapolis
Department of Chemistry, Leiden University, Netherlands
Department of Chemistry, Louisiana State University
Department of Chemistry, Ohio University
Department of Chemistry, Rensselaer University
Department of Chemistry, Tulane University
Department of Chemistry, University of Alabama at Birmingham
Department of Chemistry, University of Alberta
Department of Chemistry, University of Kentucky
Department of Chemistry, University of Memphis
Department of Chemistry, University of Minnesota
Department of Chemistry, University of Mississippi
Department of Chemistry, University of Oregon
Department of Chemistry, University of Reading
Department of Chemistry, University of Rhode Island
Department of Chemistry, University of Rochester
Department of Chemistry, University of South Florida
Department of Chemistry, University of the West Indies
Department of Chemistry, University of Toronto
Department of Chemistry, Utah State University
Department of Chemistry, Virginia Tech
Department of Chemistry, Washington University
Department of Chemistry, West Virginia University
Department of Crystallography, Birkbeck College, University of London
Department of Environmental Science and Engineering, Oregon Graduate Institute
Department of Pharmaceutical Chemistry, University of California, San Francisco
Description of the company and some of their educational outreach programs
Description of the databases provided by Questel/Orbit. Registered users can access the databases through a link on this page.
Dialog Information Services, Inc.
Division of Analytical Chemistry
Division of Carbohydrate Chemistry
Division of Chemical Education
Division of Chemical Information
Division of Computers in Chemistry
Division of Fuel Chemistry
Division of Inorganic Chemistry
Division of Medicinal Chemistry
Division of Organic Chemistry
Division of Physical Chemistry
Division of Polymer Chemistry, Inc.
Dow Chemical Company
Dreyfus Foundation
Durham Chemistry Department
Eastman Chemical Company
Educational chemistry resources on the world wide web
Electronic Journal of Theoretical Chemistry
Electronic Journals
Electronic Publishing takes Journals into a New Realm
Eli Lilly and Company
Elsevier Sciences
EMSL Ab Initio Benchmark Report
Environmental Science and Technology
Fetch and Sketch
Fisher Scientific
Fullerene Database
GAMESS Home Page
Gary Wiggins’ “Some Chemistry Resources on the Internet”
Gary Wiggins has compiled one of the most complete lists of internet resources for chemists
Gaussian Basis Set Order Form
General Interest Sites
Government Web Sites
Hitachi Instruments
Hoechst AG
Hyle: An International Journal for the Philosophy of Chemistry
Hyperactive Molecules and the World-Wide Web
Hypercube, Inc.
Hypermial Archive of the popular CHMINF-L (chemical information) List
Include an online version of Aldrichimica Acta
Includes a comprehensive list of UK Universities
Includes an excellent list of pointers to polymer resources on the Internet.
Includes product description, demo software, and FAQ
Indigo Instruments (molecular models, chemistry clipart)
Industrial and Engineering Chemistry Division
Information on all ACS Publications, including books and journals. Includes instructions to authors for submitting articles and supplementary material for some journals.
Information on AVS products, which are used for scientific visualization.
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.
Information on the operations and activities of the Society, including their conference schedule. Of interest is their initiatives towards electronic abstract submissions.
Information on the GAMESS ab initio program, including a PowerMac version. The license and information on how to obtain the code are provided.
Institute of Analytical Chemistry at the Vienna University of Technology
Institute of Chemistry at the State University of Campinas (UNICAMP)
International Society for Heterocyclic Chemistry
International Union of Pure and Applied Chemistry (IUPAC)
Internet Journal of Chemistry
Introduction to Molecular Modelling @ Brunel UK
Journal of Biological Chemistry
Journal of Chemical Physics (JCP Express)
Journal of Molecular Modeling
Journal of Molecular Modelling
Journal of Physical Chemistry
Karl Kurt Juchheim Laborgeräte GmbH
KR ScienceBase
Laboratorium for Organic Synthesis Hoornaert, Katholieke Universiteit Leuven
MDL Information Systems
Med. Chem. Feature Molecule @ Virginia Commonwealth Uni. US
Medchem/Biobyte WWW Server
Mettler-Toledo Inc.
Michigan Molecular Institute
Millipore Corporation
MIME Types for Chemistry
molecular model construction kits
Molecular Modelling / Visualisation Resources
Molecular Modelling Techniques @ Geneva CH
Molecular Simulations
Molecule Library UK
Molecule of the Month @ Bristol UK
Molecules of the Month @ Oxford UK
Molecules Online
MSI’s molecular viewer available for free for Mac and Windows
Nalco Chemical Company
Network Science
NIH Molecular Modeling Home Page
NIST WebBook
Nomenclature of Organic Chemistry
North American Catalysis Society
North American Chapter of the International Chemometrics Society
Northern Illinois University Department of Chemistry, Ohio University –>
Not specifically geared towards chemists, this page is a compilation of scientific visualization information
Online access to the Tetrahedron journals, including full text. Available for free through June 1996
Online user’s guide to XMol, which is program for displaying 3D molecular models on an X11 display server.
Other Lists of Chemistry Resources on the Internet
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
Oxford’s Virtual Reality Group
Periodic Table of the Elements
Pharm-Eco Laboratories
Phoenix Polymers, Inc.
Proceedings of the Second Electronic Computational Chemistry Conference
Protein Database
Provide the Molecular Operating Environment
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.
Publishing Chemistry on the Internet
RasMol & Chime: Molecular Visualization Freeware @ U. Massachusetts US
Rohm and Haas Company
Rolf Claessen’s Chemistry Index
SCARECROW Information
School of Chemistry, Leeds University
Schrödinger, Inc.
Scientific Visualization and Graphics
Search a six-month subset of the ChemInform database for free as a demo of the full product available on CDROM
Software for NMR, LogP, and boiling Point prediction with online trials. Also an online copy of the Nomenclature of Organic Chemistry
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
Tetrahedron Information System
The ACS finally has hit the WWW; the site contains membership and division information. Also a schedule of meetings and deadlines.
The Chemical Educator
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
The Electrochemical Society
The Fischer Catalog of Analytical and Biotech reagents is online, including prices, specifications, and MSDS.
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.
The home page for the computational chemistry list. It includes pointers to the list archives which can be searched.
The home page of the first electronic chemistry journal dedicated to rapid publication in the area of molecular and materials modeling.
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.
The Molecular Modeling Electronic Conference TMMeC MY
The name says it all
The web site of the Camille and Henry Dreyfus Foundation describing the awards and grants programs
The Wilson Group
The WWW Chemical Structures Database @ Erlangen DE
The WWW Virtual Library: Chemistry
Theoretical Chemistry Postdoctoral Clearinghouse
Theoretical Chemistry Subdivision
Theory of Atoms in Molecules
Thermodynamic data and property calculation sites
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”.
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.
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.
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.
This paper, to be published in J. Chem. Soc., Perkin Trans 2, discusses the principle of hyperactive molecules.
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
TrAC/Internet Article
Tripos Molecular Inventor Plugin Module
Ullmann’s Encyclopedia
University of Alaska Fairbanks
University of Cincinnati
University of Liverpool, Department of Chemistry
University of Sheffield
University Web Sites
US Chemistry Graduate Programs
VCH Publishing Group
Visualization Homepage @ Fribourg CH
VRML – Virtual Reality Modeling Language @ Université du Maine FR
Wavefunction, Inc.
Web Molecules in VRML @ Molecular Arts US
WebLab Viewer
World Association of Theoretical Organic Chemists (WATOC)
WWW Links for Chemists
XMol Information

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