General chemical resources | Online caculators

General chemical resources

  • ChemBioFinder
    Search for chemical compounds over the web. Requires a login (registration is free).
  • Chemical and engineering news: Nanofocus
    News about nanotechnology.
    For chemical professionals in industry, academe, and government. Provides information about the chemistry-related sciences.
  • ChemWeb.Com
    Includes a library of leading chemical journals and databases containing abstracts, chemical structures, patents, and websites.
  • 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
    Enter a name or CAS Registry Number® of a common chemical and pair both pieces of information.
  • Encyclopedia of supramolecular chemistry
    Covers 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.
  • Intute chemistry gateway
    Resources are evaluated and categorised by subject specialists based at UK universities.
    Contains an abbreviated list of quantities, units and symbols in physical chemistry. The section on the Chemical Elements includes a Periodic Table which details time of discovery.
  • IUPAC - NIST solubility database
    Contains solubilities originally published in the IUPAC (International Union for Pure and Applied Chemistry). 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.
  • National Science digital library
    Covers education and research in science, technology, engineering and mathematics.
  • PGM database
    Identify materials that meet specified physical, mechanical and chemical properties, enabling a comprehensive picture of a material and its capabilities.
  • PubChemProject
    With search capabilities, PubChem provides information on the biological activities of small molecules.
  • Spin trap database (STDB)
    Contains about 10,000 records of published spin trapping experiments.

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Online calculators

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Key resources

  • 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 catalogue number.
  • ComSpec3D
    An 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 provided.
  • 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).

Searchable libraries

NMR spectra

IR spectroscopy

Mass spectrometry

UV/Visible sprectroscopy

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    Safety information on chemicals and other hazardous substances.
  • Chemgold III
    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 Agency- ECHA
    Helps companies to comply with the legislation, advances the safe use of chemicals, provides information on chemicals and addresses chemicals of concern.
  • EPA New Zealand 
    The Environmental Protection Authority (EPA) controls the introduction of new plants and animals into New Zealand.
  • Hazardous substances and new organisms
    Information about hazardous substances and new organisms in New Zealand, from the EPA New Zealand.
  • Hazardous Substances Data Bank (HSDB)
    Focuses on the toxicology of potentially hazardous chemicals. All data are referenced and derived from a core set of books, government documents, technical reports and selected primary journal literature.
  • Material Safety Data Sheets (MSDS)
    Where to find Material Safety Data Sheets on the internet.

Theses recognised for excellence

Examples of theses acknowledged for excellence at School, Faculty and University level.

Vice Chancellor's Prize (PhD theses)



  • Referencing
    Access a range of tools and support material to assist your referencing work.


  • Quick©ite
    Use this interactive tool to view examples of references.
    Covers a range of styles used at the University of Auckland.

Last updated : 19 July 2022
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