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Computational Modelling of Structure and Catalytic Properties of Silica-Supported Group VI Transition Metal Oxide Species,ips. While a great progress has been achieved in modelling of these systems, from simple clusters to advanced periodic slabs, theoretical determination of complex reaction mechanisms using surface models with representative distribution of metal sites is still a challenge for computational catalysis.impale 发表于 2025-3-27 05:40:09
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