The Sheffield ChemPuter is a reincarnation (in progress) of a set of simple interactive calculators for chemistry launched in 1993. Use it to calculate or determine:
- Isotope Patterns from your choice of formula
- Element percentages from your choice of formula
- Reaction yield from your reaction
- Classification of an atom in your choice of compound (valence)
- Valence number (VN)
- Coordination number (CN)
- Oxidation number (ON)
- MLXZ classification
- MLXZ equivalent neutral class (ENC) classification
- VSEPR shape of simple molecules
History of The Sheffield Chemputer
The Sheffield ChemPuter was first launched in 1993 as an exercise to see if the then new-fangled WWW was in any way useful for chemistry (H.S. Rzepa, B.J. Whitaker, and M.J. Winter, "Chemical applications of the World-Wide-Web system", J. Chem. Soc., Chem. Commun., 1994, 1907-1910, https://doi.org/10.1039/C39940001907).
Originally it was a service using the MacHTTP WWW server running on a desktop Macintosh SE30. The server used the much lamented HyperCard to execute the calculation; communication between the server software and HyperCard was achieved with AppleScript. A later version was based upon WebStar/AppleEvents/SuperCard.
This current version is something of a much-delayed resurrection of The Chemputer created during Covid-19 restrictions and is not yet finished. It does its calculations using server-side PHP but the code is still based upon my early HyperTalk algorithms.
Chemputer, a set of simple calculators for chemistry: https://winter.group.shef.ac.uk/chemputer/
Copyright 1993-2021 Prof Mark J. Winter [Department of Chemistry, The University of Sheffield]. All rights reserved.