# Chemputer: reaction yield calculator

## Notes

- Enter a
**formula**. As examples WCl{P(OMe)3}(CO)2Cp, C4H8Br2, [Mo(CO)6], Ph3SnCl all work - The
**formula**is case sensitive. So h2o will fail but H2O will work - Correctly nested brackets [{()}] are OK
- A few pseudoelements including Me, Ph, Dppm, and Cp are OK
- Compound names and element names such as water or iron are not OK
- Do not enter units with weights - just a number
**Yield multiplier**: a stoichiometric coefficient, usually 1. But, for instance, enter 0.5 for [Mn_{2}(CO)_{10}] + Br_{2}→ 2[MnBr_{}(CO)_{5}] to stop the calculated yield being up to 200%.

## References

The data for the calculations are adapted from:

- J. Meija, T.B. Coplen, M. Berglund, W.A. Brand, P. De Bièvre, M. Gröning, N.E. Holden, J. Irrgeher, R.D. Loss, T. Walczyk, and T. Prohaska, "
*Atomic weights of the elements 2013*",*Pure Appl. Chem.*, 2016,**88**, 265-291, doi: 10.1515/pac-2015-0305. - Commission on Isotopic Abundances and Atomic Weights, "
*Atomic weights of the elements 2019 (abridged values)*, available at https://https://www.ciaaw.org/abridged-atomic-weights.htm. - US National Institute of Standards and Technology,
*Atomic Weights and Isotopic Compositions*, https://www.nist.gov/pml/atomic-weights-and-isotopic-compositions-relative-atomic-masses. - WebElements periodic table of the elements

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.