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The discovery of new homogeneous catalysts that preferentially form one product over another in regio- or enantioselective chemical reactions has traditionally been the province of experimental chemists. Today, computational-based approaches have carved an ...
Ozonation of secondary wastewater effluents can reduce the discharge of micropollutants by transforming their chemical structures. Therefore, a better understanding of the formation of transformation products during ozonation is important. In this study, a ...
Today's quantum chemistry methods are extremely powerful but rely upon complex quantities such as the massively multidimensional wave function or even the simpler electron density. Consequently, chemical insight and a chemist's intuition are often lost in ...
Guidelines for measuring luminescence of inorganic compounds, metal complexes and organometallic compounds are described. Common textbooks and manuals describing these measurements are usually aimed for physical and/or organic chemists and are not always s ...
International Union of Pure and Applied Chemistry2016
Review. Synthetic control over inorg. nanocrystals has made dramatic strides so that a great no. of binary and a few ternary or more complex compds. can now be prepd. with good control over size and phys. properties. Recently, chemists have tackled the lon ...
Developing new strategies and methods to explore new dimensions of the chemical space represents an important goal for organic chemists. One particular synthetic approach that emerged in the last decades is Umpolung: the normal polarity of chemical functio ...
The presence of elemental hydrogen is known to accelerate fatigue crack growth in aluminum alloys. However, a direct link between experimental data and the governing atomistic mechanisms has remained elusive. Here we present a series of computational studi ...
The availability of different levels of omics data helps us to observe cells with higher resolution and from different perspectives. However, complete understanding of metabolism lags behind in explaining the chemodiversity observed in living organisms – t ...
Despite the massive use of Reclaimed Asphalt Pavement (RAP) in Hot Mix Asphalt (HMA) production, the chemo-physical phenomena that characterise the fabrication of these mixtures have not yet been completely explored. The detection and understanding of thes ...
Proteomics has been one of the main projects challenging biological and analytical chemists for many years. The separation, identification and quantification of all the proteins expressed within biological systems remain the main objectives of proteomics. ...
