The Journal of Chemical Physics, 21 octobre 2006, Volume : 125, Numéro : 15
High-pressure, variable temperature infrared spectroscopy and first-principles calculations on the methane filled ice structure (MH-III) at high pressures are...
The Journal of Chemical Physics, 1 juin 2004, Volume : 120, Numéro : 21
We present a study of the structure of a fully deuterated methane hydrate under the geological conditions found in the world's oceans. In situ high-resolution...
The low and glasslike thermal conductivity of metal-doped semiconductor clathrate compounds makes them potentially high-efficiency thermoelectric materials....
We have performed in situ x-ray and neutron-diffraction measurements, and molecular dynamics simulations, of GeO2, an archetypal network-forming glass under...
The Journal of Chemical Physics, 8 octobre 2002, Volume : 117, Numéro : 14
We have studied the dynamical properties of doubly and singly occupied structure II N2 clathrate hydrates by performing a series of classical molecular...
The Journal of Chemical Physics, 8 décembre 2001, Volume : 115, Numéro : 22
We have performed molecular dynamics calculations to obtain a number of properties of a doubly occupied structure II N2 clathrate hydrate, in particular to...
The Journal Of Physical Chemistry B: Condensed Phase, 3 mai 2001, Volume : 105, Numéro : 17
The 23Na and 29Si NMR spectra of the sodium-silicon clathrate materials Na8Si46 and NaxSi136 (1 < x < 24) and the parent Zintl phase NaSi have been studied in...
The Journal of Chemical Physics, 1 avril 2001, Volume : 114, Numéro : 13
Classical molecular dynamics calculations were performed for a structure II clathrate hydrate with N2 guest molecules in order to investigate the possibility...
The Journal of Chemical Physics, 1 février 2001, Volume : 114, Numéro : 5
In this contribution gas-phase 129Xe spin-lattice relaxation time measurements are extended to conditions (pressure, temperature, magnetic-field strength,...
The thermal conductivity of a gas hydrate is much lower than that of ice and more intriguingly, in spite of the crystalline structure, the temperature profile...
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