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机译:高分辨率光发射光谱和密度泛函理论研究CO在Ni_3Al(111)上的吸附
Department of Physics, Norwegian University of Science and Technology, NO-7034 Trondheim, Norway;
rnDepartment of Physics, Norwegian University of Science and Technology, NO-7034 Trondheim, Norway;
rnDepartment of Physics, Norwegian University of Science and Technology, NO-7034 Trondheim, Norway;
rnMAX-lab, Lund University, P.O. Box 118, SE-221 00 Lund, Sweden;
rnDepartment of Physics, Norwegian University of Science and Technology, NO-7034 Trondheim, Norway;
adsorbed layers and thin films; ab initio calculations of adsorbate structure and reactions; adsorbate structure (binding sites, geometry); density functional theory, local density approximation, gradient and other corrections;
机译:对苯二甲酰氯在Ag(111)上的吸附和反应:X射线光电子能谱和密度泛函理论研究
机译:通过角度分辨的光曝光光谱和密度泛函理论研究了BI(111)的带结构的不寻常的温度演变
机译:通过角度分辨的光曝光光谱和密度泛函理论研究了BI(111)的带结构的不寻常的温度演变
机译:密度泛函理论研究CeO_2(111)和Ni / CeO_2(111)上CO_2反应机理
机译:使用密度泛函理论研究基于Cu(111)的电极与水之间的界面
机译:四苯基卟啉铁在造币金属(111)表面的吸附:密度泛函理论研究
机译:异佛尔酮和三甲基环己酮在Pd(111)上的吸附:红外反射吸收光谱法和密度泛函理论研究的结合