PyES, an open-source software for the computation of in solution and precipitation equilibria

PyES, an open-source software for the computation of in solution and precipitation equilibria:
- Titration & Distribution work mode
- Estimation of uncertainties of soluble and precitables species concentrations
- Intuitive input interface
- Graphing capabilities to easily visualize results
- Available for Linux, Windows and MacOS
- Interoperable file formats for input (JSON) and output (CSV/Excel Spreadsheets)

Click here to go to the downloading page

NECTAR COST Action publication: L. Castellino, E. Alladio, S. Bertinetti, G. Lando, C. De Stefano, S. Blasco, E. García-España, S. Gama, S. Berto & D. Milea; Chemometrics and Intelligent Laboratory Systems (2023), 239, 104860. DOI: 10.1016/j.chemolab.2023.104860

GEMS - The GEneral Microspeciation Solver
A program aimed at solving acid-base microspeciation equilibria from NMR and spectroscopic data. It is maintained by Dr. Salvador Blasco (University of Valencia, Spain).
The source code and executables can be downloaded free of charge: Click here to go to the download page
Publication: Click here to go to the article

SpectrApp, a one-stop solution for small to mid-sized soft modeling problems.
It provides tools for loading, cleaning and manipulating datasets coming from different sources. It is available both as a web application, hosted on a UniTO server accessible free of charge, and as an installable application that can be run locally on the user's machine.
It was developed by Dr. Eugenio Alladio and Dr. Lorenzo Castellino (University of Turin, Italy).
Click here to launch the spectra application

Other useful tools for the NECTAR community

Stability Constant Explorer, a search program for NIST SRD 46 “Critically Selected Stability Constants of Metal Complexes” database for Microsoft Windows 7 or later (64 bit)
Click here to go to the Stability Constant Explorer page

Author: Naoyuki Hatada, Ph.D. Department of Materials Science and Engineering, Kyoto University.
The accompanying database file (NIST_SRD_46_ported.db) is based on the following dataset which is distributed at the NIST website: Donald R. Burgess (2004), NIST SRD 46. Critically Selected Stability Constants of Metal Complexes: Version 8.0 for Windows, National Institute of Standards and Technology

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