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Note that here our calculations provide only a guideline in order to estimate the relative chemical reactivity among three different molecules. More sophisticated calculations about many different cases of surface geometries with consideration of kinetic effects would give more realistic pictures of experiments, which are beyond the scope of this article.
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Note that here our calculations provide only a guideline in order to estimate the relative chemical reactivity among three different molecules. More sophisticated calculations about many different cases of surface geometries with consideration of kinetic effects would give more realistic pictures of experiments, which are beyond the scope of this article.
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