In this review, we give a brief summary of methodological and computational aspects of
determination of structure and different size-dependent properties of small atomic clusters by …

A five-dimensional potential energy surface (PES) for the interaction of a rigid methane
molecule with a rigid nitrogen molecule was determined from quantum-chemical ab initio …

The collision diameter σ for a large set of molecular species is related to the static electronic
polarizability αel. A remarkable correlation between these quantities conceptually similar to …

Characterizing the key length and energy scales of intermolecular interactions, Lennard-
Jones parameters, ie, collision diameter and well depth, are prerequisites for predicting …

We present an extensive study of the five-dimensional potential energy and induced dipole
surfaces of the CH4–N2 complex assuming rigid-rotor approximation. Within the …

The binary diffusion coefficients of two low lying isomers of (Al 2 O 3) n, n= 1... 4, clusters in
different bath gases, that most frequently met in the nature and in the technical applications …

Practical engines such as liquid rockets and diesel and gas turbine engines all operate at
high pressures. For example, the chamber pressure of one of the most powerful liquid-fueled …

The interaction-induced dipole moment surface of the van der Waals CH 4–N 2 complex has
been calculated for a broad range of intermolecular separations R and configurations in the …

The interaction potential energy surface of the van der Waals CH 4–N 2 complex has been
calculated for a broad range of intermolecular separations and configurations in the …

This work concerns the site–site interaction study of 256 particles using the Buckingham
potential model. We have calculated the new parameters of the Buckingham potential using …