Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 3 of 3 for “"Cage formation"”.
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Predicting precursor size effects on organic cage formation with molecular dynamics
The recently developed porous organic molecular cage is a promising class of porous materials, which has already opened new ways for specific reaction environment development, molecular separation and storage, and catalysis. Creation of these small porous cage molecules is challenging because there …
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Probing Nucleation Mechanisms of Gas Hydrates via Molecular Simulations
… where guest species can be encapsulated in water cages. Gas hydrates have received considerable attention because of the vast natural methane hydrates and various promising hydrate-based technologies. Relevant to the applications, a fundamental molecular-level understanding of nucleation behavior …