We present a new four-dimensional (4D) potential energy surface for the HCl–H 2 van der
Waals system. Both molecules were treated as rigid rotors. Potential energy surface was …

In this article we use MP2 and CCSD (T) calculations for the A24 and S66 data sets to
explore how midbond functions can be used to generate cost effective counterpoise …

The intermolecular potential energy surface (PES) of the Ar··· HCl complex was calculated at
the RCCSD (T)/aug-cc-pv Q z-BF level of theory. The obtained potential was expanded in …

The rovibrational spectrum of the He–HF van der Waals complex is calculated from an
accurate intermolecular potential energy surface. This is obtained by fitting a considerable …

Two new ab initio IPESs were calculated at the RCCSD (T) level of theory employing aug-cc-
pVXZ-33211 (X= T and Q) basis set for Ar–HCl complex. Supermolecular approach was …

Xenon atoms interact weakly and reversibly with different molecular systems and human
body. In this report, we consider their participation in hydrogen bonding in relation to …

We evaluate the rovibrational spectrum of the He–HCl van der Waals complex from an
accurate ground state intermolecular potential, obtained from CCSD (T) interaction energies …

用公认精确的密耦近似方法计算了入射能量从25 至150 meV 时, He 原子与基态BH
分子碰撞的弹性微分截面, 非弹性微分截面和总微分截面, 进一步讨论了微分截面的变化趋势及 …

The two-dimensional potential energy surface for the Xe–HF van der Waals interaction is
calculated by the single and double excitation coupled-cluster theory with noniterative …

El 4He presenta propiedades muy interesantes a muy bajas temperaturas. La
experimentación con helio lıquido llevó al descubrimiento en 1938, de que este se …