Clusters of polycyclic aromatic hydrocarbon (PAH) molecules are modeled using explicit all-
atom potentials using a rigid-body approximation. The considered range of PAHs goes from …

We present an on-line database of computed molecular properties for a large sample of
polycyclic aromatic hydrocarbons in four charge states:− 1, 0,+ 1, and+ 2. At present our …

We have modeled the states of hydrogenation and charge of polycyclic aromatic
hydrocarbons (PAHs) in diffuse clouds for molecules ranging from benzene up to species …

Laboratory studies play a crucial role in understanding the chemical nature of the interstellar
medium (ISM), but the disconnect between experimental timescales and the timescales of …

We present first-principle calculations which reveal the existence of low-barrier routes to
molecular hydrogen formation on the polycyclic aromatic hydrocarbon (PAH) molecule …

We extend the prediction of vibrational spectra to large sized polycyclic aromatic
hydrocarbon (PAH) molecules comprising up to∼ 1500 carbon atoms by evaluating the …

The matrix-isolation technique has been employed to measure the mid-infrared spectra of
several polycyclic aromatic nitrogen heterocycles in both neutral and cationic forms. The …

The infrared emission from interstellar dust in the Small Magellanic Cloud is modeled using
a mixture of amorphous silicate and carbonaceous grains, including a population of …

We present an alternate model for the formation of molecular hydrogen in the interstellar
medium (ISM) where polycyclic aromatic hydrocarbon (PAH) cations may play a key role as …

We have investigated the effectiveness of molecular hydrogen (H 2) formation from
Polycyclic Aromatic Hydrocarbons (PAHs) which are internally heated by collisions with keV …