Ellis in 1982 , is applied to calculate the ioaization energies , of Cr ( CO ) _ 8 and V ( CO ) _ 6 molecules.

用此法计算了C_ r ( CO ) _6、V ( CO ) _6的电离能.

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By combining spectroscopy ( PES ) with theoretical calculations , the ionization potentials of iodine trichloride were studied.

结合紫外光电子能谱实验和量子化学计算方法研究了三氯化碘的电离能.

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Ionization Energy ( IE ) and Electron Affinities ( EA ) are expressed as kilojoules per mole.

电离能 和电子亲和性表达为每千焦耳摩尔.

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