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5. Dissecting the bond formation process of Palladium-ethene complexes with multi-reference approaches

Dissecting the bond formation process of Palladium-ethene complexes with multi-reference approaches

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：wudongjiang888

【摘 要】

：

Transition metals play an important role in catalytic processes of olefins.When metal d-orbitals overlap with olefin π*-orbitals,electrons can transfer from metal dorbitals to ligand π*-orbitals throu

【作 者】

：

Yilin Zhao Katharina Boguslawski Pawe(l) Tecmer (O)rs Legeza Paul W.Ayers 

【机 构】

：

Department of Chemistry and Chemical Biology,McMaster University,Hamilton,Ontario,1280 Main Street W

【出 处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年5期

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Transition metals play an important role in catalytic processes of olefins.When metal d-orbitals overlap with olefin π*-orbitals,electrons can transfer from metal dorbitals to ligand π*-orbitals through the process of back-donation.

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