Models for hydrated and neat hydrocarbons are developed with the adaptive force matching method using either B3LYP-D3(BJ) or MP2 as reference. Hydrocarbons, being non-polar, present an opportunity to ...
“Force fields” have long captured our imagination — the invisible shields of science-fiction lore that protect starships and superheroes from harm. But in the world of scientific discovery, force ...
Liquid electrolyte is an indispensable component in most of the current commercial lithium-ion batteries 1,2,3. The existing commercial electrolytes are mostly carbonate-based, and often composed of ...
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