Vibrational spectra and physico-chemical properties of astrophysical analogsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp04695b
We undertake in this paper a theoretical study based on DFT methodology of amorphous solids formed by methane, water and nitrogen in a ratio of 1 : 3 : 3. By varying the size of the cell containing this mixture of molecules, we study the effect of the corresponding cell volume and density on the pre...
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