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 “"barrierless reaction"”.
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Machine Learning Estimation of Reaction Energy Barriers and its Applications in Astrochemistry
… a machine learning model for fast estimating reaction energy barriers. The model was trained on data for 11,730 elementary reactions and barriers computed with an estimated accuracy of 2.3 kcal/mol by Grambow and coworkers. Although it was trained, and then applied, only for reactions …
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The role of lattice excitation in Si etching
… in no increase in F coverage, indicating that reaction of F₂ with the fluorinated Si surface does not occur. In contrast, further exposure to XeF₂ results in additional reaction, increasing the coverage sufficiently beyond 1 ML F to produce the volatile etch product, SiF 4. The experiments …
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Theoretical studies of the bonding, energetics and spectra of sulfur and phosphorus halides, and reactivity of divalent sulfur compounds: impact of recoupled pair bonding
… researchers had found that the (CH3)2S + F2 reaction proceeded readily with a large rate constant, which is unusual for a reaction between two closed-shell molecules. We were able to explain the interesting experimental results for the (CH3)2S + F2 reaction as well as the H2S + F2 system, …