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- W2010487044 abstract "DFT calculations clearly show that a zirconocene–ethylene complex, Cp2Zr(C2H4), easily reacts with hydrosilane, SiH4, to afford either Cp2Zr(H)(C2H4SiH3) or Cp2Zr(SiH3)(C2H5). In the transition state, the Si–H anti-bonding σ*-orbital of SiH4 overlaps well with the π-back donating molecular orbital between Zr dπ and C2H4 π* orbitals." @default.
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- W2010487044 date "2001-12-01" @default.
- W2010487044 modified "2023-09-25" @default.
- W2010487044 title "Can Cp<sub>2</sub>Zr(C<sub>2</sub>H<sub>4</sub>) Easily React with Hydrosilane? Theoretical Study" @default.
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- W2010487044 doi "https://doi.org/10.1246/cl.2001.1222" @default.
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