We have updated a version of the coordination geometry table of the d-block elements and their ions that Moore and co-workers presented in 1997. This table is constructed by searching and analyzing the data in the Cambridge Structural Database. In this updated version, we have also analyzed impact of ligands on the coordination geometry and…

Mass spectrometry is essential for large-scale protein identification in proteomics. By database searching of mass spectrometry data, it is possible to identify proteins without the need to interpret MS/MS spectra (de novo sequencing), which is time-consuming and not feasible as a systematic tool in proteomic analysis. Many authors have reported…

Recently there is an increasing need for experiments that can be conducted remotely. In this sense, this paper presents three experiments about materials science and an X-ray diffraction (XRD) technique that can be taught and performed entirely remotely. The first experiment is about the calculation of lattice parameters, atomic radii, and…

Students of physical chemistry in biochemical disciplines need biochemical examples to capture the need, not always understood, of a difficult area in their studies. The use of thermodynamic data in the chemical reference state may lead to incorrect interpretations in the analysis of biochemical examples when the analysis does not include relevant…

Structured databases of chemical and physical properties play a central role in the everyday research activities of scientists and engineers. In materials science, researchers and engineers turn to these databases to quickly query, compare, and aggregate various properties, thereby allowing for the development or application of new materials. The…

Crystallographic information provides the fundamental basis for understanding the properties and behavior of materials. This data, such as chemical composition, unit cell dimensions, space group, and atomic positions, derives from the primary literature--that is, from published experimental measurement or theoretical calculation. Although the…