This review deals with the relation between intermolecular potentials and the spectra of van
der Waals molecules. Intermolecular potentials cannot be measured directly, but the …

The weak, noncovalent interactions among molecules at long range and as close as van der
Waals contact form a crucial contemporary frontier for chemical physics, one with many …

The hybrid variation− perturbation many-body interaction energy decomposition scheme
has been applied to analyze the physical nature of interactions in the ionic 3-pentenenitrile …

A new approach for the analysis of intermolecular interactions in a solution is proposed. The
changes in the interaction energy components due to the solvent effects are estimated on …

Under standard conditions reaction yields are connected with terms like free energy
differences and thermal distributions. However, many modern experimental techniques …

Ab initio calculations were carried out for critical point regions of the acetylene dimer
potential surface with different basis sets, with and without the inclusion of counterpoise …

The effects of nonadditive forces on Arn–HF van der Waals clusters are investigated for n 2,
3, 4, and 12. The pair potentials operating in these systems are accurately known. Earlier …

Intermolecular vibrational states are calculated for Ne⋯ HBr, Ne⋯ HI, and HI (Ar) n (n= 1–6)
complexes using potential energy surfaces constructed by accurate ab initio methods …

In this paper we study the bound-state energies and geometries of Ar 3 for J= 0⁠, using the
distributed Gaussian functions method that provides a configurational description of the …

The ground-state energies and HF vibrational frequency shifts of Ar n HF clusters have been
calculated on the nonadditive potential-energy surfaces (PESs) for n= 2-7 and on the …