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Machine learning can reproduce the DFT-D results well, providing a structure-energy-property landscape that could be used to predict the energy and NMR chemical shifts of such multicages with more water molecules. These theoretical results present vital insights into the hydrate nucleation from a unique perspective.A strategy toward epitope-selective functionalized nanoparticles is introduced in the following ultrasmall gold nanoparticles (diameter of the metallic core about 2 nm) were functionalized with molecular tweezers that select
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