机译:光谱分析和密度泛函理论计算在室温下芳基钌(Ⅲ)卟啉催化的C-H氧化和环氧化及[Ru〜V(Por)(O)(Ph)]中间体
Department of Chemistry and State Key Laboratory of Synthetic Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, China;
Department of Chemistry and State Key Laboratory of Synthetic Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, China;
Department of Chemistry and State Key Laboratory of Synthetic Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, China;
Department of Chemistry, The Chinese University of Hong Kong, Shatin, New Territories, Hong Kong, China;
Department of Chemistry and State Key Laboratory of Synthetic Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, China;
Department of Chemistry and State Key Laboratory of Synthetic Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, China;
Department of Chemistry and State Key Laboratory of Synthetic Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, China;
Department of Chemistry and State Key Laboratory of Synthetic Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, China,HKU Shenzhen Institute of Research and Innovation, Shenzhen 518053, China;
机译:通过反应性酰亚胺酰亚胺中间体氧化[Ru-II(bpy)(2)(二胺)](2+)的C-C键断裂和N-O键形成的密度泛函理论计算
机译:过氧钼配合物作为双相过氧化氢活化中的环氧化催化剂:拉曼光谱研究和密度泛函计算
机译:三甲基二氧杂hen,(CH3)(3)ReO2的结构,通过光谱方法,气体电子衍射和密度泛函理论计算进行了研究。倾斜的甲基:C-H中心点中心点中心点中间点M相互作用或弯曲的M-C
机译:CPRH(CO)_2络合物使用密度函数理论研究光诱导的C-H键的研究
机译:探索钒氧化物簇及其与二氧化硫反应的分子间相互作用计算和密度泛函理论计算的基集问题
机译:NN-二甲基-211-二氮杂33(26)吡啶oph的铁配合物催化水氧化。铁-氧代中间体的光谱学和密度泛函理论计算
机译:Cu-CHA催化剂中Cu +至Cu2 + NOx低温氧化的光谱证据和密度泛函理论(DFT)分析:对SCR-NOx反应机制的影响