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:

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)

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