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Updated: Jul 20, 2026

Exploring the Radical Nature of a Carbon Surface by Electron Paramagnetic Resonance and a Calibrated Gas Flow
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Published on: April 24, 2014

Cp(2) M (M = Ca,Eu,或 Yb) 的一氧化碳复合体是否与碳或氧气结合? 从DFT计算中得到的答案

L Maron1, L Perrin, O Eisenstein

  • 1Laboratoire de Physique Quantique, UMR 5626, IRSAMC, Université Paul Sabatier, 118 Route de Narbonne, 31064 Toulouse Cedex, France. laurent.maron@irsamc.ups-tlse.fr

Journal of the American Chemical Society
|May 16, 2002
PubMed
概括

密度函数理论 (DFT) 的计算显示,一氧化碳 (CO) 与双价 (Yb) 金属的结合需要氧原子协调来匹配实验结果,与 (Ca) 和欧 (Eu) 不一样.

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