Vol. 118 No. 4 (2022)

Computational Chemistry has acquired a prominent role and is nowadays a fundamental technique to predict the properties of systems and also to interpret and understand the outcome of sophisticated experiments. In this paper, we focus on the latter and show through a compilation of examples where direct interpretation of experiments is cumbersome. This is the case of adsorbed species on
substrates and their influence on the reaction mechanisms heterogeneously catalyzed.

Keywords: Computational Materials Science, Interpretation of XPS and IR Spectra, Computational Heterogeneous Catalysis

Asymmetric synthesis was born as a response of the scientific community to the preference of certain biologic systems through one enantiomer over the other. Historically, the generation of new bonds has been the preferred strategy to create the targeted chirality, while counterintuitive bond cleavage has been led a side in the preparation of new chiral molecules. Among the lasts, asymmetric deprotonation using lithium-based bases emerged as the preferred strategy. However, and to overcome certain drawbacks associated with those bases, organocatalysis has appeared as an alternative, showing promising results within enantioselective deprotonation methodologies.

Keywords: organocatalysis, asymmetric synthesis, enantioselective deprotonation, desymmetrization

This article reviews the mechanism of biological nitrogen fixation, its bacterial transformation
to nitrate anion, and atmospheric pollution by nitrogen oxides. The history of its synthesis and that of its
extraction as a mineral, as well as its use as a fertilizer and explosive, are briefly described.

Keywords: Nitrates, nitrites, nitrogen oxides, nitrogenase, nitrogen fixation, diazotrophic bacteria

This article is devoted to the outstanding and charismatic figure of Professor John Bannister Goodenough, Nobel Prize in Chemistry in 2019, who turned 100 this past July and is still active at the University of Texas in Austin (USA). There, he received a great tribute, which included the celebration of a Symposium and a Workshop in his honor on this very special occasion.

Keywords: Goodenough, Nobel Prizes, Solid State, Materials, Li-ion Batteries