Atomistic simulation of the effect of molecular adsorption of water on the surface structure and energies of calcite surfaces
作者： Nora H. de Leeuw , Stephen C. Parker
DOI: 10.1039/A606573B
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摘要: … The hydration energy of physisorption on calcite was calculated by comparing the energy of the pure surface and that of an isolated water molecule with the energy of the hydrated …
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