A common phenomenon resulting from the interaction of atoms is the formation of
molecules, under certain conditions. This well-known type of interaction is termed covalent …

Molecular clusters are nowadays preferred model systems to study both the energetics and
dynamics of molecules in a tailored molecular environment. 1-5 For the physical chemist …

An empirical method to account for van der Waals interactions in practical calculations with
the density functional theory (termed DFT-D) is tested for a wide variety of molecular …

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 …

Aims. The competition between the formation and destruction of coronene clusters under
interstellar conditions is investigated theoretically. Methods. The unimolecular nucleation of …

The field of nanoscience was pioneered in the 1980s with the groundbreaking research on
clusters, which later led to the discovery of fullerenes. Handbook of Nanophysics: Clusters …

The intermolecular interaction energies of naphthalene dimers have been calculated by
using an aromatic intermolecular interaction model (a model chemistry for the evaluation of …

A quantum chemistry study of the ground-state structures and binding energies of the van
der Waals dimers of benzene, naphthalene, and anthracene has been made at the MP2/6 …

The semiempirical methods of the OMx family (orthogonalization models OM1, OM2, and
OM3) are known to describe biochemical systems more accurately than standard …

The electronic excitations of naphthalene and a family of bridged naphthalene dimers are
calculated and analyzed by using the Collective Electronic Oscillator method combined with …