The mechanism of dihydrogen oxidative addition to the simplest palladium cluster has been analysed within the framework of the reaction-path Hamiltonian approximation; a planar dihydride complex has been found to form without the potential energy barrier and intramolecular degenerate exchange of the protons in the complex has been investigated.
机构:
Ningbo Univ, Fac Mat Sci & Chem Engn, State Key Lab Base Novel Funct Mat & Preparat Sci, Ningbo 315211, Peoples R ChinaNingbo Univ, Fac Mat Sci & Chem Engn, State Key Lab Base Novel Funct Mat & Preparat Sci, Ningbo 315211, Peoples R China
Liang, Hong-Ze
Wang, Qiang
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机构:
Ningbo Univ, Fac Mat Sci & Chem Engn, State Key Lab Base Novel Funct Mat & Preparat Sci, Ningbo 315211, Peoples R ChinaNingbo Univ, Fac Mat Sci & Chem Engn, State Key Lab Base Novel Funct Mat & Preparat Sci, Ningbo 315211, Peoples R China