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A Toolkit to Enable Hydrocarbon Conversion in Aqueous Environments
Published on: October 2, 2012
Thiago H da Silva1, Jalen Lu1, Zayah Cortright1
1Department of Chemistry and Biochemistry, Boise, Idaho 83725, United States.
This study presents a new automated method to explore how atoms and molecules interact with surfaces. It uses symmetry-invariant features and machine learning for efficient and comprehensive analysis of interaction sites, even for complex systems.
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