Polycyclic aromatic hydrocarbons (PAHs) are considered a major class of organic
contaminants or pollutants, which are poisonous, mutagenic, genotoxic, and/or …

Rotational spectroscopy is the technique of choice for investigating molecular structures in
the gas phase. Indeed, rotational constants are strongly connected to the geometry of the …

The investigation on the preferred arrangement and intermolecular interactions of gas phase
solute–water clusters gives insights into the intermolecular potentials that govern the …

Quantum tunneling is a fundamental phenomenon that plays a pivotal role in the motion and
interaction of atoms and molecules. In particular, its influence in the interaction between …

Broadband rotational spectroscopy is used to investigate the geometries of 3‐methyl‐3‐
oxetanemethanol and its complexes with up to six water molecules, which are produced in …

The interaction of water and polycyclic aromatic hydrocarbons is of fundamental importance
in areas as diverse as materials science and atmospheric and interstellar chemistry. The …

Gas-phase molecular spectroscopy is a natural playground for accurate quantum-chemical
computations. However, the molecular bricks of life (eg, DNA bases or amino acids) are …

Computation of accurate geometrical structures and spectroscopic properties of large
flexible molecules in the gas-phase is tackled at an affordable cost using a general …

Interactions between water and polycyclic aromatic hydrocarbons are essential in many
aspects of chemistry, from interstellar and atmospheric processes to interfacial …

We report on the noncovalent intermolecular interactions established between the polycyclic
aromatic hydrocarbons phenanthrene and phenanthridine with water. Such noncovalent …