Hydrogen hydrates are among the basic constituents of our solar system's outer planets,
some of their moons, as well Neptune-like exo-planets. The details of their high-pressure …

The relative energies of different phases or polymorphs of molecular solids can be small,
less than a kilojoule/mol. A reliable description of such energy differences requires high …

While ammonia and water readily form hydrogen-bonded molecular mixtures at ambient
conditions, their miscibility under pressure is not well understood, yet crucial to model the …

Methane and other hydrocarbons are major components of the mantle regions of icy planets.
Several recent computational studies have investigated the high-pressure behaviour of …

The quantum chemical description of the adsorption, vibrations, and reactions of molecules
at periodic solid surfaces is frequently based on a methodological “standard model”: density …

Ammonium fluoride, NH 4 F, is often seen as an analog to ice, with several of its solid
phases closely resembling known ice phases. While its ionic and hydrogen-ordered nature …

On a new nitrogen sX hydrate from ice XVII | The Journal of Chemical Physics | AIP Publishing
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