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- W2014080790 abstract "Ab initio molecular orbital calculations were performed to compare interdimer reaction pathways with intradimer pathways of the reactions of a H2 molecule on C, Si, and Ge(001) surfaces. It was found that the interdimer desorptions of a H2 molecule from H-terminated C, Si, and Ge(001) surfaces do not produce hyperthermal energy. Also, in both adsorption on the clean surfaces and desorption from the H-terminated surfaces, the interdimer reaction pathways on C, Si, and Ge(001) surfaces have a smaller reaction barrier than the intradimer reaction pathways." @default.
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- W2014080790 date "2001-12-20" @default.
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- W2014080790 title "Hybrid Density-Functional Calculations of the Reactions of a H<sub>2</sub> Molecule on C, Si, and Ge(001) Surfaces" @default.
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- W2014080790 doi "https://doi.org/10.1021/jp010996f" @default.
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