Intermolecular interactions involving aromatic rings are key processes in both chemical and
biological recognition. Their understanding is essential for rational drug design and lead …

Cations bind to the π face of an aromatic structure through a surprisingly strong, noncovalent
force termed the cation-π interaction. The magnitude and generality of the effect have been …

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 …

We present an all atom potential energy function for the simulation of proteins and nucleic
acids. This work is an extension of the CH united atom function recently presented by SJ …

Under certain conditions the interaction of atoms leads to formation of molecules. This type
of interaction is relatively strong, with maximum of attraction between specific pairs of atoms …

State-of-the-art electronic structure methods have been applied to the simplest prototype of
aromatic π− π interactions, the benzene dimer. By comparison to results with a large aug-cc …

Molecular organisation and molecular interactions are the basis of the functional properties
of most molecules, and a detailed understanding of non-covalent chemistry is therefore …

A model chemistry for the evaluation of intermolecular interaction between aromatic
molecules (AIMI Model) has been developed. The CCSD (T) interaction energy at the basis …

Although supramolecular chemistry and noncovalent interactions are playing an
increasingly important role in modern chemical research, a detailed understanding of …

Interactions involving aromatic rings are important in molecular/biomolecular assembly and
engineering. As a consequence, there have been a number of investigations on dimers …