Le réductionnisme en chimie quantique et les grandes contradictions du tableau périodique avec la mécanique quantique et le rôle du data mining

Abstract

The periodic table of elements, is the most important generalization in chemistry, it is often considered as a special representative case in the study of the relationship between chemistry and physics. The study of the anomalies in the periodic table has been the subject of many researches, such as the study of the positions of lutetium and hydrogen, but no one could clear up the problem. In this work we tried to confront this problem, by applying the data mining approach and its techniques of multivariate analysis such as Principal Component Analysis (PCA) and regression (PLS). The obtained results indicate the significative similarity shared between lutetium and transition metals of the third row of the periodic table, which shows that the position of lutetium must be below yttrium and next hafnium, while for hydrogen it was found that it did not conform to any group of the periodic table, it is a special element