WEB REFERENCE SITES : C H E M I S T R Y
This page contains a combined list of links to datasets, websites, and resources on the internet which will be of interest to Chemists.
Applications for Mobile Devices
Chemical Suppliers
Chromatography
Free and Open Information
Information Literacy
Mobile Applications for Chemistry
Patents
Periodic Table Resources
Physical Properties
Safety
Spectra
- UV Spectra
Synthetic Chemistry
Visualisation
Abbreviations of Chemical Compounds
A searchable index in which the user enters an abbreviation of a chemical compound to find out the full name.
Biographical Memoirs
Published by the National Academy of Sciences since 1977, these are brief biographical entries for late members of the National Academy. Includes Thomas Edison, Joseph Henry, and Alexander Graham Bell.
Calculators On-Line Center
An extensive collection of chemistry-related calculators, for performing conversions and solving problems.
Chemical Information Sources Wiki
From the Chemicalinformaticsgroup at Indiana University's School of Informatics and Computing. Includes lecture notes.
Chemistry Central
A service "publishing peer-reviewed open access research in chemistry, from the same team that created BioMed Central, the leading biomedical open access publisher. The Chemistry Central website currently features chemistry-related articles published in BioMed Central journals."
Chemistry Journal Abbreviations
The following sites provide lists and/or search facilities for journal abbreviations.
ChemDex
Links list from Sheffield University.
ChemBioFinder
Offers a way to search for chemical compounds over the World Wide Web. Requires a login (registration is free).
Chemical and Engineering News : Nanofocus
Created as a single source for news about nanotechnology as part of Chemistry and Engineering News.
Chemistry.org
A good site to begin looking for chemistry-related information. A one-stop website for chemical professionals in industry, academe, and government worldwide, ChemCenter also provides resources for educators, students and individuals who want reliable, accurate information about the chemistry-related sciences and the American Chemical Society (ACS)—the world's largest scientific society.
ChemWeb.Com
Provides access to a variety of resources, including: a Library of leading chemical journals; Databases containing abstracts, chemical structures, patents, websites and more ...; The Alchemist - ChemWeb's magazine for the latest chemistry news; Shopping Mall containing software, equipment, and books; Worldwide Job Exchange with hundreds of job offers and jobs wanted; Conference Diary find the latest events and conferences; etc.
Combinatorial Chemistry
Provides an overview of combinatorial synthesis, including polymers and linkers for solid-phase synthesis, determination of product structure, solution-phase synthesis and applications of combichem.
Common Chemistry - Substance Search
From Chemical Abstracts Service (CAS). A "web resource that contains CAS Registry Numbers for approximately 7,900 chemicals of widespread general public interest. Common Chemistry is helpful to non-chemists who know either a name or CAS Registry Number® of a common chemical and want to pair both pieces of information".
Directory of Open Access Journal - DOAJ
"The aim of the Directory of Open Access Journals is to increase the visibility and ease of use of open access scientific and scholarly journals thereby promoting their increased usage and impact. The Directory aims to be comprehensive and cover all open access scientific and scholarly journals that use a quality control system to guarantee the content."
Encyclopedia of Supramolecular Chemistry
Online encyclopaedia covering the latest supramolecular advancements and methods in the areas of chemistry, biochemistry, biology, environmental and materials science and engineering, physics, computer science, and applied mathematics.
Google Calculator Function
To use Google's built-in calculator function, simply enter the calculation you'd like done into the search box and hit the Enter key or click on the Google Search button. The calculator can solve math problems involving basic arithmetic, more complicated math, units of measure and conversions, and physical constants.
Google Groups > Science and Technology > Chemistry
Mailing lists or discussion forums available from Google.
Intute Chemistry Gateway
From the website: "provides free access to high quality resources on the Internet. Each resource has been evaluated and categorised by subject specialists based at UK universities. Our target audience is students, staff and researchers in higher and further education".
IUPAC
The International Union of Pure and Applied Chemistry (IUPAC) was formed in 1919 by chemists from industry and academia and has long been recognized as the world authority on chemical nomenclature, terminology, standardized methods for measurement, atomic weights and many other critically evaluated data. This website contains an abbreviated list of quantities, units and symbols in physical chemistry, by K. H. Homann. The section on the Chemical Elements includes a Periodic Table which details time of discovery.
IUPAC - NIST Solubility Database, Version 1.0
A database containing solubilities originally published in the IUPAC (International Union for Pure and Applied Chemistry) - NIST Solubility Data Series is now available online. Mutual solubilities and liquid-liquid equilibria of binary, ternary and quaternary systems are presented. Typical solvents and solutes include water, sea water, heavy water, inorganic compounds, and a variety of organic compounds such as hydrocarbons, halogenated hydrocarbons, alcohols, acids, esters and nitrogen compounds. For many systems, sufficient data were available to allow critical evaluation. Data are expressed as mass and mole fractions as well as the originally reported units. Scope: There are over 55,000 solubility measurements, compiled from 15 volumes of the IUPAC Solubility Data Series. There are about 1200 chemical substances in the database and 4,850 systems, of which 448 have been critically evaluated. The database has over 1300 references.
Klotho: Biochemical Compounds Declarative Database
Klotho is part of the attempt by the Institute for Biomedical Computing (Washington University) to model biological processes, beginning with biochemistry. They offer a Biochemical Compounds Graphical Catalogue and an Alphabetical Compound List (which contains 439 unique compounds).
Mass Spectrometry Internet Resources FAQ
National Science Digital Library
Free online library for education and research in Science, Technology, Engineering, and Mathematics.
NIST Chemistry WebBook
The US National Institute of Standards and Technology Chemistry WebBook provides users with easy access to chemical and physical property data for chemical species. The data provided in the site are from collections maintained by the NIST Standard Reference Data Program and outside contributors. The WebBook system allows users to search for chemical species by various means, and once the desired species has been identified, the system will display data for the species.
PGM Database
Information may be accessed on more than 400 alloys, over 1000 diagrams and graphs with over 9000 referenced numerical data points, 60 phase diagrams of platinum group metals alloy systems and more than 600 separate pages of related data. Software allows users to identify materials that meet specified physical, mechanical and chemical properties. Properties of materials are displayed in a user-friendly view, giving a comprehensive picture of a material and its capabilities.
PubChemProject
With search capabilities, PubChem provides information on the biological activities of small molecules. It is a component of NIH's Molecular Libraries Roadmap Initiative.
Science.gov: FirstGov for Science - Government Science Portal
Collection of information provided by US government agencies, including research and development results.
Spin Trap Database (STDB)
A database of about 10,000 records of published Spin Trapping experiments. This data includes the experimental results (e.g. hyperfine coupling constants) and journal reference information. Users may search the database using any combination of several fields of data such as Spin Trap Agent, radical molecule, solvent, text keywords, and hyperfine splittings of nuclei. The resulting data is linked to the journal reference information.
Standards
CSSINFO allows you to search the standards of more than sixty associations, including API, AWWA, BS, ISO,NFPA and UL. 5000 industry standards are available for downloading in PDF format (for a fee).
Temperature Conversion Calculator
Converts temperatures from and to Fahrenheit, Celsius, Kelvin, Reaumur and Rankine.
WorldWideScience.org - The Global Science Gateway
Maintained by the U. S. Department of Energy's Office of Science and Technical Information (OSTI).
APPLICATIONS FOR MOBILE DEVICES
Macs in Chemistry: Mobile Science
A listing of scientific iPhone and iPad devices available via the iTunes store.
CHEMICAL SUPPLIERS
BuyersGuideChem
Chem Sources
CHEMCATS
A division of the American Chemical Society.
ChemExper
Catalogue of Chemicals suppliers, physical characteristics and search engine.
CoreIndex.com
"a global trade center tailored for chemical suppliers, manufacturers, exporters, import export businesses and business opportunity seekers."
Link to Internet Sources for Chemical History, Biography, Directories, and Industry Sources
From the Cheminformatics Group, Indiana University, Bloomington, Indiana.
ThomasNet
CHROMATOGRAPHY
Chrom-Ed Series - by Dr. R.P.W. Scott
A series of online reference books on chromatography by Dr. R.P.W. Scott.
The site has a search engine and includes the following titles:
FREE AND OPEN INFORMATION
The following lists of freely accessible databases were compiled by Dr. Garry Wiggins, Director, Chemical Informatics Program, Indiana University:
ChemSpider
From the site: "A free access service providing a structure centric community for chemists. Providing access to millions of chemical structures and integration to a multitude of other online services ChemSpider is the richest single source of structure-based chemistry information."
INFORMATION LITERACY
Information Literacy competencies for chemistry undergraduates
American Chemistry Society - Chemical Information Retrieval
Special Libraries Association - Information Competencies for Chemistry Undergraduates
Undergraduate Professional Education in Chemistry - Guidelines and Evaluation Procedures
American Chemical Society Committee on Professional Training, Spring 2003.
35 page PDF.
PATENTS
SureChem
Free patent searching, although registration is required. Provided by Reel Two Inc.
PERIODIC TABLE RESOURCES
109 : A Visual Interpretation of the Table of Elements
This site aims to produce a new visual assessment of the diversity of material that constitutes the world in which we live, not simply by rendering images of the respective elements but also by investigating the manner in which they affect our daily lives in largely unseen and often unexpected ways.
Periodic Table
[Requires Macromedia Shockwave Player]
Using the Macromedia Shockwave Player, this American Chemical Society website offers three interactive periodic tables. Students can find the basic data on each element including its atomic radius, stable isotopes, melting point, and density in the first periodic table tab. The website identifies different elemental groups by color. Users can view the electron configuration by selecting elements on the periodic table in the second tab. The last tab offers plots of the elements' electronegativity, ionization energy, and other properties.
Periodic Table of Data - Royal Society of Chemistry
A visual database of physical and thermochemical properties of the chemical elements. A slideshow on the site gives an overview of the site's features, and further details can be found in the on-line Help.
Periodic Table of the Elements
A Visual Interpretation of the Table of Elements. An innovative project interpreting the periodic table through "images that explore and reflect upon the diversity of elements that comprise matter." Each of the 109 elements is accompanied by a visual image, as well as a description and history (including origin of name). The site is supported by the Royal Society of Chemistry.
Periodic Table of the Instruments (PDF)
A colour poster in PDF format. Please note this may take some time to download.
"The elements in the classic periodic table serve as the foundation of all substance. These instruments and accessories serve as the foundation of the modern chemical enterprise".
Periodic Table on the WWW: WebElements
Periodic Table - Chemogenesis Web book - Periodic Table Formulations
Part of the Chemogenesis Web book from the company Meta-Synthesis.
Philip Stewart's Chemical Galaxy II: A New Vision of the Periodic System of the Elements
A larger version of the periodic system devised by Philip Stewart also viewed on its own site with explanation from its designer:
"Many chemists before and after Mendeleyev have proposed a spiral image, to get the advantages of a helix in two dimensions. My Chemical Galaxy is the latest of these versions, using a starry pathway to link the elements and to express the astronomical reach of chemistry. The intention is not to replace the familiar table, but to complement it and at the same time to stimulate the imagination and to evoke wonder at the order underlying the universe".
PHYSICAL PROPERTIES
Chemical Kinetics Database on the Web
A compilation of kinetics data on gas-phase reactions. Not available in the Library.
Infotherm - Database of Thermophysical Properties (FIZ-Chemie)
A thermophysical properties database. Provided by Germany's Chemistry Information Centre, a state-supported non-profit information agency.
IUPAC-NIST Solubility Data on the Internet
A database containing solubilities originally published in the International Union for Pure and Applied Chemistry (IUPAC)-National Institute of Standards and Technology (NIST) Solubility Data Series. This database is derived from eleven volumes of the series and is concerned primarily with liquid-liquid systems. A limited number of multi-component (organic-water-salt) systems are also included.
Journal of Physical and Chemical Research Data - Search
Available from the National Institute of Standards and Technology (NIST) Data Gateway, this is a search interface for finding articles published in the Journal of Physical and Chemical Reference Data (JPCRD). Searchable by title, author, year published, keyword or substance name. Free full text online versions of over 350 articles are available in PDF format.
Full text downloads of Monographs and Supplements from the Journal are also available.
NDRL/NIST Solution Kinetics Database on the Web
A compilation of kinetics data on solution-phase reactions. Not available in the Library.
Physical Properties Sources Index (PPSI)
The physical properties sources index lists recommended databases, handbooks, and websites (data, definition, measurement) for physico-chemical and other material properties.
Property Resource Directories - Properties Data for Chemicals & Materials
Compiled by Ben Wagner at the University at Buffalo, State University of New York.
ThermoDex - An Index of Selected Thermodynamic and Physical Property Resources
From the University of Texas at Austin.
Landolt-Bornstein
SAFETY
CCOHS
A cross-searchable suite of material safety databases from the Canadian Centre for Occupational Health and Safety, providing safety information on chemicals and other hazardous substances. The Library's subscription to the CCOHS Academic Support Program provides access to the following datasets: MSDS plus CHEMINFO, RTECS, OSH References, CHEMpendium.
Chemgold II
Chemgold II gives safety information for approximately 100,000 chemicals and hazardous substances. Each Material Safety Data sheet provides safety advice, chemical and physical properties, risks, toxicities, emergency response, workplace exposure levels and disposal.
European Chemical Substances Information System (ESIS)
Contains links to the following:
European LIst of Notified Chemical Substances (ELINCS)
This current ELINCS contains 3 827 chemical substances.
European INventory of Existing Commercial chemical Substances (EINECS)
Household Products Database
From the National Library of Medicine, the database is based on the Consumer Product Information Database ©2001 by DeLima Associates. This database links over 4,000 consumer brands to health effects from Material Safety Data Sheets (MSDS) provided by the manufacturers and allows scientists and consumers to research products based on chemical ingredients.
Persistent, Bioaccumulative and Toxic (PBT) Chemicals Rules
The US EPA has published two final rules that lowered the TRI (Toxics Release Inventory) reporting thresholds for certain persistent bioaccumulative toxic (PBT) chemicals and added certain other PBT chemicals to the TRI list of toxic chemicals. These PBT chemicals are of particular concern not only because they are toxic but also because they remain in the environment for long periods of time, are not readily destroyed, and build up or accumulate in body tissue.
Erma New Zealand
Website for the Environmental Risk Management Authority which controls the introduction of new plants and animals into New Zealand.
Hazardous Substances and New Organisms
A gateway to information about hazardous substances and new organisms in New Zealand, from the Environmental Risk Management Authority (ERMA).
Hazardous Substances Data Bank (HSDB)
HSDB is a toxicology data file on the National Library of Medicine's (NLM) Toxicology Data Network. It focuses on the toxicology of potentially hazardous chemicals. It is enhanced with information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, and related areas. All data are referenced and derived from a core set of books, government documents, technical reports and selected primary journal literature. HSDB is peer-reviewed by the Scientific Review Panel (SRP), a committee of experts in the major subject areas within the data bank's scope. HSDB is organized into individual chemical records, and contains over 4700 such records. See also the Factsheet.
Material Safety Data Sheets (MSDS)
Where to Find Material Safety Data Sheets on the internet.
NIOSH Pocket Guide to Chemical Hazards - Index of Chemical Names and Synonyms
From the US National Institute of Occupational Safety and Health (NIOSH).
US Code Title 15: Commerce and Trade - Chapter 53 : Toxic Substances Control
From Cornell University.
Subchapters I - IV:
Where to find MSDS on the Internet
From Interactive Learning Paradigms Incorporated, this page has links to internet resources including glossary and an MSDS frequently asked questions (FAQ).
World Health Organization Publications
The following are available online (Please note that the documents are in PDF format):
- Corisa-Barrientos, M., Campbell-Lendrum, D., and Steenland, K. (2004), Occupational noise , Environmental Burden of Disease Series No. 9.
"This guide outlines a method for estimating the disease burden of hearing loss caused by high levels of noise in the workplace, at national, city or local levels."
- Driscoll, T., Steenland, K., Pruss-Ustun, A., Nelson, D. I., and Leigh, J. (2004), Occupational carcinogens, Environmental Burden of Disease Series, No. 6.
"This guide provides practical advice for assessing the current burden of disease from past and current occupational exposures to carcinogens. The outcomes of such exposures include lung cancer, leukaemia and malignant mesothelioma. The disease burden is measured in terms of the number and proportion of deaths from these conditions, as well as in terms of total disability (using disability-adjusted life years, or DALYs)."
SPECTRA
ChemExper Chemical Directory
Catalogue of chemical suppliers, physical characteristics. A search engine permits value/keyword searching. The program will then try to find corresponding products by looking for molecular formula, registry number (CAS number), product name and synonyms as well as a supplier catalog number.
ComSpec3D
Computed Spectral Data 3D-Visualization is an online service for the calculation and visualization of Infrared and Raman spectra and their corresponding normal modes. A VRML plug-in like Ortega is required to see the normal mode animations.
Mass Spectral Drug Libraries
Zipped files. Instructions for download and access are at the above link.
NIST Chemistry Web book (Note that the NIST Chemistry Web book does NOT cover NMR)
The Web book covers:
- IR spectrum
- THz IR spectrum
- Mass spectrum
- UV/Vis spectrum
- Gas chromatography
- Vibrational and electronic electronic energy levels
nmrshiftdb 2
nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. The nmrshiftdb2 software is open source, the data is published under an open content license.
SciFinder
CAS has added spectral data to about 150,000 compounds in SciFinder. There are 28,000 IR, 19,000 Mass Spec, and 142,000 13 C NMR from Wiley Subscription Services and Japan's Integrated Spectral Database System of Organic Compounds (NAIST). The actual spectra are available, not just links to articles with spectral data. The spectra are NOT in the Mac version, but will be available in the next OS release scheduled for this (northern) summer 2006. To view the spectra first retrieve the record for the compound by using the "locate" button. Click on the microscope icon to open the full record for your compound and then scroll down to the hyperlink labeled "Experimental Properties".
Specinfo (Database)
Desktop access to some of the largest collections in mass spectrometry (MS), Nuclear Magnetic Resonance (NMR), and Infrared and near Infrared spectroscopy. A SpecInfo Illustrated Guide is available.
Searchable Libraries for spectra information are provided by the following:
ACD/Labs
Diatomic Spectral Database Holdings
Spectral data is available for the 121 diatomic molecules listed. Select an element in the periodic table shown on the page to display only molecules containing that element.
NIST Chemistry Web book
SDBS - Integrated Spectral Data Base System for Organic Compounds
SDBS is an integrated spectral database system for organic compounds, which includes six different types of spectra under a directory database of the compounds. The database was started in 1982.
Sigma Aldrich
Sigma Aldrich freely offers FT-NMR and FT-IR Raman spectra for many chemicals via their online catalog. The spectra are downloadable as PDF files. The catalog is searchable by name, CAS number, etc.
spectroscopyNow.com
Online resource from Wiley.com, a free access spectroscopy portal. A "Community of Interest" website, offering information, resources and services.
Wiley.com
NMR Spectra
The Aldrich Library of NMR Spectra, 2nd edition, C. J. Pouchert, Aldrich Chemical Co., Milwaukee, 1983.
[General Library, Science Reference Level M]
Carbon-13 NMR Spectra: A Collection of Assigned Coded and Indexed Spectra, L. F. Johnson and W. C. Janukowski, Kriegel Publishing Co., New York, 1978. [We have 1972, Wiley-Interscience]
Carbon-13 NMR Spectral Data, 4th edition, W. Bremser, L. Ernst, W. Fadinger, R. Gerhards, A. Hardt, and P. M. E. Lewis, VCH-Verlag, Weinheim, 1987 (contains some 60,000 spectra). [We have 1982, edition not stated on Voyager record].
IR Spectroscopy
The Aldrich Library of FT-IR Spectra, 2nd edition, Aldrich Chemical Co., Milwaukee, 1997. [General Library, Science Reference Level M]
The Aldrich Library of Infrared Spectra, 3rd edition, C.J. Pouchert, Aldrich Chemical Co., Milwaukee, 1981. [General Library, Science Reference Level M]
Mass Spectrometry
Eight Peak Index of Mass Spectra, 3rd edition, 8 Vols., Royal Society of Chemistry, Cambridge, 1991.
[We have the fourth edition]
The Wiley/NBS Registry of Mass Spectral Data, F. W. McLafferty, D. B. Stauffer, 7 Vols., Wiley, New York, 1989.
UV/Visible Sprectroscopy
Organic Electronic Spectral Data (Vols. 1-31, 1946-1989), H. P. Phillips, H. Feuer, and B. S. Thyarajan, Wiley-Interscience, New York. [We have 1-17, not 18-31]
- UV Spectra
Acridline Orange
Shows the chemical structure of Acridine orange, as well as the absorption and fluorescence emission spectra.
VISUALISATION
3Dchem.com - Chemistry, Structures & 3D Molecules
Jmol Java technology is used to display interactive 3D models.
Crystallographic Information Framework (CIF)
CIF is the data exchange standard file format of the International Union of Crystallography
Molecular Visualization and Modeling Software
Links to modelling resources
Subject Librarian: Chemistry, Food Science, and Forensic Science - Sonya Donoghue
File last updated :
December 15, 2011
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Comments and suggestions to: Sonya Donoghue
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