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Automated search for reaction pathways of C(sp3)-H activation catalysed by silica-supported monophos
[会议论文] 作者：Min Gao,Satoshi Maeda,Ryo Murakami,Tomohiro Iwai,Masaya Sawamura,Tetsuya Taketsugu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
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Automated search for reaction pathways of C(sp3)-H activation catalysed by silica-supported monophos
[会议论文] 作者：Min Gao,Satoshi Maeda,Ryo Murakami,Tomohiro Iwai,Masaya Sawamura,Tetsuya Taketsugu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
The quantum chemical calculation has become a powerful tool to study the origin of reactivity and selectivity in catalytic reactions....
[期刊论文] 作者：Rui Han,Jiangyong Diao,Sonu Kumar,Andrey Lyalin,Tetsuya Taketsugu,Gilberto Casillas,Christopher Richardson,
来源：能源化学：英文版 年份：2021
It is demonstrated experimentally and confirmed theoretically that highly defective boron nitride showed outstanding performance for oxidative dehydrogenation of ethylbenzene.The catalyst is derived from carbon-doped hexagonal boron nitride......
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