In this review, the intriguing properties of clathrate hydrates shall be discussed, as well as
their environmental impact and prospects for energy exploitation in industry. In particular, the …

Clathrate hydrates or gas hydrates have received worldwide attention due to their potential
to be utilized in various sustainable technologies. The hydrate-based industrial applications …

The matrix isolation technique is now weil established as a spectroscopic t:: chnique. The
number of practitioners using the infrared spectral region i~; growing and there have been a …

The subject of this Perspective is quantum approaches, beyond the harmonic
approximation, to vibrational dynamics and IR spectroscopy. We begin with a pedagogical …

We performed first-principles computations to investigate the complex interplay of molecular
interaction energies in determining the lattice structure and stability of CO2@ sH clathrate …

The morphologies of methane (CH 4) hydrate formation in the system containing different
mole ratios of tetrahydrofuran (THF) and cyclopentane (CP) at two different temperatures are …

Abstract Structure-H gas hydrate is recognized by its hexagonal symmetry and anisotropy.
The available structure-mechanical properties relations of this hydrate from an atomistic …

Non-equilibrium molecular-dynamics (NEMD) simulations of bulk methane clathrate
hydrates have been conducted in a range of externally-applied static electric fields of up to …

The vibrational characteristics of gas hydrates are key identifying molecular features of their
structure and chemical composition. Density functional theory (DFT)-based IR spectra are …

The infrared spectra of sII gas hydrates have been computed using density functional theory
for the first time, at equilibrium, and under pressure. It is also the first account of a full …