Density functional theory (DFT)

Translations : density functional theory (DFT), théorie de la fonctionnelle de la densité (DFT)

Frame of reference : NASA Thesaurus

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Nitrogen Hydrate Cage Occupancy and Bulk Modulus Inferred from Density Functional Theory-Derived Cell Parameters

Gas clathrate hydrate solid materials, ubiquitous in nature as found either on the ocean floor, permafrost on the Earth, or in extraterrestrial planets and comets, are also technologically relevant, for example, in energy storage or carbon dioxide sequestration. Nitrogen hydrate, in particular, is ...

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