【摘 要】
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Mechanistic investigation of a catalytic reaction on surfaces is often hampered by the diversity of intermediates and elementary reaction pathways,in addition to the complexity of surface structure.Th
【机 构】
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大连化学物理研究所,大连,116023
论文部分内容阅读
Mechanistic investigation of a catalytic reaction on surfaces is often hampered by the diversity of intermediates and elementary reaction pathways,in addition to the complexity of surface structure.The development of efficient theoretical screening methods can accelerate the identification of key intermediates and active sites.
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