Ab initio potential energy curves (PECs) of electronic states of ZnAr complex are calculated
up to Rydberg state correlating with the (4 s 6 s) 1 S 0 asymptote of Zn atom. Analysis of …

Using the coupled cluster singles and doubles including connected triple excitations model
with the augmented correlation consistent polarized valence double ζ basis set extended …

The ground-state intermolecular potential energy surface for the fluorobenzene—argon van
der Waals complex is evaluated using the coupled-cluster singles and doubles including …

We describe variational calculations of J= 0 intermolecular states in Br 2–He N 4 clusters.
The method employed is analogous to configuration-interaction calculations in electronic …

An ab initio intermolecular potential energy surface (PES) has been constructed for the
benzene-krypton (BKr) van der Waals (vdW) complex. The interaction energy has been …

Efficient ab initio method for studies of van der Waals complexes of argon and aromatic
molecules is presented. It is based on the supermolecular second-order Møller–Plesset …

The structure and energetics of van der Waals complexes of argon with azabenzenes:
pyridine, pyrazine, pyrimidine, pyridazine, s-triazine, and s-tetrazine are studied using the …

Benzene–fluorobenzene complexes are used as model systems to simulate the interactions
of the SBB-HCAII protein–ligand complex. Using the second-order Møller–Plesset [MP2] and …

The dynamics of van der Waals vibrational motions and vibronic spectrum of the complex of
argon with p-difluorobenzene (ArDFB) are investigated using the ab initio method. The …

By evaluating a representative set of CCSD (T) ground state interaction energies for van der
Waals dimers formed by aromatic molecules and the argon atom, we test the performance of …