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The relationship between formate adsorption energy and electronic properties: A first principles den
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相关项目:复杂表面催化过程反应机理的DFT-KMC研究
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复杂表面催化过程反应机理的DFT-KMC研究
期刊论文 15
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Characterization of methanethiolate on some transition metals: A first-principle density functional
甲基、氨基和甲胺在清洁及C(N,O)改性的Mo(100)表面的吸附
Cu(100)表面HCOO对CO_2吸附的稳定作用
Is the preadsorbed sulfur atom always acting as a poison for the surface reaction
Adsorption of cyclohexene on nAu/Pt(100) (n=0, 1, 2): A DFT study
Adsorption of atoms on Cu surfaces: A density functional theory study
Investigation the active site of methane dissociation on Ni-based catalysts: A first-principles anal
Methane combustion on Pd-based model catalysts: Structure sensitive or insensitive
甲胺在清洁及磷改性Mo(100)表面的解离
Selective oxidation of styrene on an oxygen-adsorbed Au(111): A density functional theory study
HCOO在Cu(110)、Ag(110)和Au(110)表面的吸附
Cu(100)表面HCOO对CO2吸附的稳定作用
甲烷在清洁Pd(111)及氧改性的Pd(111)表面解离的密度泛函理论研究