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The thermodynamic stability of a clathrate hydrate has been investigated by examining the
free energy of formation of clathrate hydrate II encaging propane. The total free energy has …

The thermodynamic stability of a clathrate hydrate encaging methane or xenon has been
investigated by examining the free energy of formation. The total free energy is divided into …

The thermodynamic stability of clathrate hydrates encaging nonspherical molecules has
been investigated by examining the various components of the free energy of cage …

Organic clathrate compounds, particularly those formed between hydroquinone (HQ) and
gases, are supramolecular entities recently highlighted as promising alternatives for …

Under specific pressure and temperature conditions, certain gaseous species can be
engaged in a host lattice of hydroquinone molecules, forming a supramolecular entity called …

We present a method that brings prediction of phase behaviors of various clathrate hydrates
with firm statistical mechanical ground adopting a different reference state from the usual …

We develop a method to evaluate the thermodynamic stability of clathrate hydrates relative
to host water and/or guest species. This enables to investigate complete phase behaviors of …

The crystal structure of β‐quinol clathrate was investigated by empirical force‐field
calculations using two sets of potential functions—AMBER and CVFF. The crystal was …

Host–guest, guest–guest, and host–host interactions in the β-hydroquinone clathrate crystal
have been calculated from periodic and cluster-type ab initio calculations. The potential …