Gabriel package: software for education and research

Gilles Olive (1)

1 EICVN - Ecole Industrielle et Commerciale de la Ville de Namur

Today, personal computers are part of our life either at home, at work or at school. Even if the computer power increases, the software are more and more complicated, asking more and more time for learning it or for obtaining a result. It becomes important to have in labs as well as at school small fast software using empirical equations. We report here about the use but more particularly the algorithms, the equations and the data sets of three software belonging to the Gabriel package. The first one, Gabriel Nathalie II, is a calculator with many functionality's. It is possible to calculate the pKa or to simulate the chemical shift in 31P NMR of amino-phosphonate. Moreover it is also able to dertimine the thermodynamics data of bisphosphonate binding to human bones. The second one, Gabriel Calculatrice Savon, is used to calculate the amount of alkali needed for making a soap according to the amount and the nature of fat but also the viscosity of some oils at a desired temperature. And at least Gabriel Data Analysis is a software devoted to data analysis. Today, software for research can be used for educational and educational software can be useful for research.

Mots clés: data analysis; software; algorithm; equation; soap; pKa; 31P NMR

Domaines: Chemo-informatique

Gilles Olive. Gabriel package: software for education and research. Bulletin de la Société Royale des Sciences de Liège, 2016, 85, pp.57-118. ⟨hal-00826664v1⟩