The scope of this article is to present an overview of the Density Functional based Tight
Binding (DFTB) method and its applications. The paper introduces the basics of DFTB and …

In this perspective, we review experiments with molecules picked up on large clusters in
molecular beams with the focus on the processes in atmospheric and interstellar chemistry …

To address the possible role of pyrene dimers in soot, chemical dynamics simulations are
reported to provide atomistic details for the process of collisional association of pyrene …

We present a review of the capabilities of the density functional based Tight Binding (DFTB)
scheme to address the electronic relaxation and dynamical evolution of molecules and …

Although clusters made of polycyclic aromatic hydrocarbon and water monomers are
relevant objects in both atmospheric and astrophysical science, little is known about their …

We present a combined experimental and theoretical study on the dissociative ionisation of
clusters of pyrene. We measured the experimental appearance energies in the photon …

Protonated mixed pyrene–water clusters,(Py) m (H2O) nH+, where m=[1–3] and n=[1–10],
are generated using a cryogenic molecular cluster source. Subsequently, the mass-selected …

We report measurements of the attachment rates of water molecules onto mass-selected
cationic pyrene clusters for size from n= 4 to 13 pyrene units and for different collision …

We report threshold collision induced dissociation experiments on cationic pyrene clusters,
for sizes n= 2–6. Fragmentation cross sections are recorded as a function of the collision …

Infrared spectra are computed for neutral and cationic clusters of Polycyclic Aromatic
Hydrocarbon molecules, namely (C_16H_10)_n=1,4^(0/+) (C 16 H 10) n= 1, 4 (0/+), using …