Software for Chemistry

• Acid-Base Equilibrium Calculator
  Here you'll find a program for plotting fractional acid-base compositional diagrams and titreration curves, as well as calculating pH values and species composition in aqueous solutions of acids and bases.
• Advanced Chemistry Development, Inc.
  Developers of chemical property predicting software. You'll find a shareware version of ChemSketch, claimed to be the fastest 2D drawing program available, as well as demo versions of LogP, which calculates logP values - in most cases accurate to ±0.3 or better, and a CNMR, which dalculates accurate ¹³C NMR spectra - in most cases to ±5 ppm or better.
• Australian Chemistry Network Software Resources
  Includes an archival site and local copies of recent DOS/Windows, Macintosh and Unix programs.
• CACHE Corporation
  CACHE is a not-for-profit organization whose purpose is to promote cooperation among universities, industry and government in the development and distribution of computer-related and/or technology-based educational aids for the chemical engineering profession.
• CambridgeSoft Corporation
  "Develops, markets and supports high quality desktop applications for chemists and engineers." On the same site you'll also find "ChemFinder database searching - one of the first substructure-searchable small-molecule database on the Web, made possible by the chemical searching technology in ChemFinder Pro".
• Catalog of Public Domain Chemistry Software
  This is a listing of chemistry-related public domain software, freeware, and shareware for MS-DOS and Macintosh computers that can be downloaded from commercial information services.
• ChemCAI: Instructional Software for Chemistry
  The site contains several lists of software sources, demonstration materials and other resources of interest to Chemistry teachers and course designers.
• Chemical Applications of the World-Wide-Web System
  The application of the Internet based World-Wide-Web system for efficient and intuitive delivery of chemical information in a wide variety of formats is illustrated via models for electronic publishing and interaction with molecular data.
• Commercial Sources of Instructional Software for Chemistry
  A list of publishers of commercially available instructional software programs maintained by Steve Lower at the Simon Fraser University, Canada. In most cases you can click on the name of the organization to obtain more detailed information about their offerings. Most of this information is taken from catalogs, and may not be current.
• Chemistry Software
  Links to some 40+ different sources of chemistry programs.
• Chemistry Software
  Indiana University Bio Archive with a Gopher-like HTML interface.
• Chemistry Software Catalogue
  From the CTI Centre for Chemistry. This catalog covers all platforms and includes brief descriptions of each title.
• Chemistry Software Reviews
  From the CTI Centre for Chemistry.
• Chemistry Software on the Net
  Software lists for MS-Windows/NT, MS-DOS, Linux/UNIX, Mac and Amiga. Also contains a listing of commercial chemistry software vendors.
• Computational Chemistry
  This is an archive of Ohio Supercomputer Center's Computational Chemistry List (CCL) including free software for practically every conceivable platform. You'll also find information on joining the list.
• Courseware for Chemistry Teaching
  The Chemistry Courseware Consortium produces software for teaching chemistry at the higher education level. Four projects have been chosen: Basic Chemistry, Theoretical Methods, Spectroscopy, and Shapes of Molecules. Software is offered at cost, and on their FTP server, the only freeware found is a Periodic Table Quiz and a Software Sampler.
• CTI Centre for Chemistry
  The British Ministry of Higher Education has funded the Computers in Teaching Initiative which has established groups ("Centres") in a number of disciplines. The one for Chemistry is based at the University of Liverpool. Includes reviews of numerous software programs.
• Educational NMR Software
  This page (by Peter Lundberg of Umeå University, Sweden) contains information about free, cheap, and commercial mainly EDUCATIONAL NMR and ESR software suitable for simulating spectrometers and spectra, processing NMR data, and illustrating various concepts.
• eLABorate Project (York University, UK)
  The home page for the eLABorate project, concerned with the development of simulations of experiments in chemistry and biochemistry for teaching purposes.
• Falcon Software
  Falcon Software is an educational software publisher specializing in Chemistry, Environmental Science, Engineering, Electronics, and Foreign Languages.
• HP 48GX Periodic Table of the Elements Library
  The HP 48 Periodic Table Library is a RAM-based version of the Periodic Table application that was originally distributed in the HP 82211A HP Solve Equation Library Card. Freeware.
• How a Photon is Created or Absorbed
  Advanced undergraduate level paper by several authors. Requires Excel to view spreasheets.
• Hyperactive Molecules and the World-Wide-Web Information System
  Proposed Internet standard based on primary chemical MIME types to be used in conjunction with the the World-Wide-Web information delivery system.
• HyperProg Periodic Table Bundle
  Demo versions of Mac Hypercard decks containing two parts, one that helps you learn the Periodic Table of Elements (elements 1-111) and one that tests you on how well you know them.
• Journal of Chemical Education: Software
  JCE: Software is the branch of the Journal of Chemical Education that publishes instructional computer software and videodiscs.
• Kimberlyte
  Develops educational software for both the Windows and Macintosh platforms.
• Learning Matters of Chemistry - Software Library
  This page contains chemical education programs developed by Yue-Ling Wong and Ching-Wan Yip. Among the titles are "Derivation of Rydberg Constant", "Electron Distribution of the 2s orbital", "Shape of the 4dx2-y2 Wave Function", "Size of 3dz2 Orbital", "Filling Orbitals", "Stereochemistry Exercise", and "Linear Regression Graphing Pad".
• Mathcad Applications in Chemistry
  Contains links to Mathcad applications in chemistry. This includes links to other web pages, pointers to FTP sites, and a selection of Mathcad documents to download.
• Mathsource Chemistry Sessions
  Mathematica modules in chemistry from Wolfram Research.
• MDL Information Systems, Inc.
  At this location, academic or personal home users can download a FREE version of ISIS Draw, a chemical structure drawing program. You'll also find information on other software offerings from this company, including Chemscape Chime, a plug-in that lets scientists display chemically significant 2D and 3D structures within an HTML page or table.
• MIME types for Chemistry
  Information on MIME (Multipurpose Internet Mail Extensions) file types.
• Model Science Software
  Model Science is developing simulation software for use in education. ChemLab for Windows is their current product for chemistry. It's a real-time 2-D simulation of a chemistry lab in which the user interacts with animated lab equipment, similar to lab work. Each lab simulation is contained in a separate simulation module, thus many different labs are possible using the common lab interface. A free version of ChemLab with Fractional Crystallization lab is available at this site.
• MS-Tools
  Pointers to mass spectrometer freeware available on the Internet, plus a collection of tools for use by the mass spectrometer user including a periodic chart with graphic hyperlinks to charts with exact masses and isotopic abundances of the elements, mass spec calibration data, etc.
• PM Periodic Table
  A periodic table for the OS/2 desktop! Now, the chemical information you also need is only a mouse click away! (Well, at least some info is....) The program includes the names, symbols, atomic number and atomic masses of the elements in a standard periodic table format. PM Periodic Table is registerware, which means that it is FREE!
• Prode
  At this site educational organizations can download a free copy of "Prode Calculator", a programmable chemical process calculator with graphical interface and a powerful programming language. It comprises many functions for thermodynamic calculations and a database of more than 1000 chemicals.
• RasMol Home Page
  RasMol is free molecular visualization software, great for small molecules but is especially amazing for macromolecules (proteins, DNA, RNA) or macromolecular assemblies (viruses, lipid bilayers). This site provides the software itself, a gallery of images produced by RasMol, educational scripts (movies) for projection in lectures or for self-study, links to class web sites which employ RasMol, and to other free molecular visualization software. And here is the old link to the RasMol Command Reference.
• Re View
  A 4D-molecular viewer, animator and analyzer. Major features include the ability to: Display and manipulate molecules in 3D. Animate reaction pathways or other types of multi-stepped data, as well as normal modes of vibration. Edit animation sequences (including spatial alignment across frames). Produce spreadsheet-readble tables of geometries, as well as to monitor and graph such data. Automatically produce high quality 'ray-traced' images and animation sequences.
• Sheffield Chemistry Software Archive
  
• Silicon Graphics Chemistry and Biological Sciences
  Product information and a list of resources.
• Simtel
  DOS and Windows Archives.
• SoftShell Online
  This commercial software provider hosts a discussions and information forum for web publishing of chemical papers. You'll also find a FREE ChemWeb GIF structure editor (great for drawing chemical structures for inclusions in WWW pages), as well as descriptions of other chemistry software, such as ChemWindow and ChemIntosh.
• Spreadsheet Simulations for Analytical Chemistry
  This is a collection of interactive simulations for use by students in my courses in Instrumental Analysis and Spectrochemical Methods. They were developed using Informix WingZ, an object-oriented spreadsheet with a powerful built-in macro language.
• Stephan's Technical Thermochemistry Web Page
  This web page serves as a source of information for those interested in the application of technical thermochemistry. It focuses on the software and data that have their roots at the Lehrstuhl für Theoretische Hüttenkunde (Institute of Theoretical Metallurgy) at RWTH Aachen (Aachen University of Technology) and at GTT Technologies. These include the renowned ChemSage-family of software programs, including ChemSage itself, the programmer's toolkit ChemApp, the geochemical version of ChemSage, ChemGeo, and the thermochemical teaching program ChemSage-TEACH, all of which are results of the work of Dr. Gunnar Eriksson.
• Sumex Macintosh Archive
  Gopher archive containing some 300+ pieces of chemistry software. An abstract file is available in the root directory.
• VSL front desk at the OAK Repository
  This is a front desk to the Virtual Software Library (VSL) at Oakland University. Claims to be the most powerful tool available for searching for shareware and freeware on the Internet.
• WINPTE - Periodic Table for Windows
  WINPTE is an easy-to-use version of the Periodic Table. It provides you all basic information about the elements, and makes it easy to share the data with other programs. One important feature is that you, the user, can translate the program without recompiling. This way WINPTE can be used in education all over the world. When indexed, localized Finnish, German and French versions were available. Shareware - Registration fee: US$ 20.

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