Accurate description of hydrogen‐bonding energies between water molecules and van der
Waals interactions between guest molecules and host water cages is crucial for study of …

In this work, Raman spectroscopy is employed to investigate the effects of hydrophobic and
hydrophilic groups on water structure. In aqueous methanol, ethanol, 1-propanol solutions …

In this work, ab initio electronic structure computations have been used to systematically
examine the structures and energetics of nine small hydrocarbon molecules interacting with …

Previous studies have shown that the weakly bonded H 2 S dimer demands high level
quantum chemical calculations to reproduce experimental values. We investigated the …

As a result of hydrogen bonding in CHF 3-H 2 O complex, ab initio computations exhibited a
blue shift in the CH stretching region of CHF 3 sub-molecule. In this work, we have …

Quantum chemical calculations of the HOH⋯ CH 4 complex, in which water acts as the
proton donor and methane is the acceptor, were performed at different levels of theory. The …

New molecular beam scattering experiments have been performed to measure the total
(elastic plus inelastic) cross sections as a function of the velocity in collisions between water …

Neglect of fragment structural distortions resulting from noncovalent interactions is a
common practice when examining a potential energy surface (PES). Herein, we make …

The X-ray-induced transformations of CHF3/CO/Ar and CHF3/CO/Kr systems were
investigated by Fourier transform infrared (FTIR) matrix isolation spectroscopy at 6 K. It was …

We have extended a previous study of the complexes of fluoroacetylene with ammonia,
water, hydrogen fluoride, phosphine, hydrogen sulphide and hydrogen chloride to the …