Solvation is a complex phenomenon involving electrostatic and van der Waals forces as well
as chemically more specific effects such as hydrogen bonding. To disentangle global …

This study aims (i) to use Sargassum (sp) for producing activated carbon applied for the
removal of caffeine from water (ii) to understand the associated adsorption mechanism by …

Since the nitrogens of nucleosides and nucleotides play an important role in the molecular
recognition of these compounds, 15N NMR became a method of choice in this field. Fully …

For many thermal reactions, the effects of catalysis or the influence of solvents on reaction
rates can be rationalized by simple transition state models. This is not the case for reactions …

Tautomerism in organic chemistry has been extensively studied in condensed phase by
spectrometric methods, mainly by IR and NMR techniques. Mass spectrometry studies start …

From the 1960s to the 1990s, the large-scale production of banana in the French West
Indies required an intensive use of chlorinated pesticides, such as chlordecone (Kepone) …

The dimerization of formamide (FMA) has been investigated by matrix isolation
spectroscopy, static ab initio calculations, and ab initio molecular dynamics (AIMD) …

Solvent can have significant effects on the solution thermodynamics and crystallisation
kinetics of organic compounds from solution. In the present work, the early stages of …

Understanding the effect of nano-structuring and metal do** on the properties of copper-
based clusters is crucial to develo** effective catalysts for the electrochemical conversion …

Multiple minima of water cluster hypersurfaces are explored to find thermodynamic
properties by means of the corresponding partition functions of their canonical distributions …