This Feature Article starts highlighting some recent experimental and theoretical advances
in the field of IR and Raman spectroscopy, giving a taste of the breadth and dynamics of this …

This review summarizes the recent developments regarding the use of uranium as nuclear
fuel, including recycling and health aspects, elucidated from a chemical point of view, ie …

Hydrogen bonds (HB) s are the most abundant motifs in biological systems. They play a key
role in determining protein–ligand binding affinity and selectivity. We designed two …

Uranium metallocenes have recently attracted attention driven by their use as catalysts in
organometallic synthesis. In addition to bent U (IV) and U (III), an U (II) metallocene [(η5-C5 i …

Protein dynamics and function is strongly connected to the energy flow taking place.
Myoglobin (Mb) and its mutations are ideal systems to study the process of vibrational …

LModeAGen, a new protocol for the automatic determination of a nonredundant, complete
set of local vibrational modes is reported, which is based on chemical graph concepts …

In this work hydrogen bonding in a diverse set of 36 unnatural and the three natural Watson
Crick base pairs adenine (A)–thymine (T), adenine (A)–uracil (U) and guanine (G)–cytosine …

Abstract The Local Vibrational Mode Analysis, initially applied to diverse molecular systems,
was extended to periodic systems in 2019. This work introduces an enhanced version of the …

For decades one has strived to synthesize a compound with the longest covalent C− C bond
applying predominantly steric hindrance and/or strain to achieve this goal. On the other …

The prediction of cocrystal or molecular salt formation from organic acid and base
constituents in solution usually relies on the pK a rule, an empirical protocol based on the …