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10 积分 2023-10-25 加入
Why the abnormal phenomena of D-band center theory exist? A new BASED theory for surface catalysis and chemistry
2天前
已完结
Machine Learning Based Electronic Structure Predictors in Single-Atom Alloys: A Model Study of CO Kink-Site Adsorption across Transition Metal Substrates
3天前
已完结
Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree–Fock exchange
3天前
已完结
Robustness of surface activity electronic structure-based descriptors of transition metals
3天前
已完结
Coupled and Implicit Relationships of the d-Band Center of the Magnetic Dopants in Diluted Magnetic Semiconductors and Transition Metal Oxides
3天前
已完结
Digital Descriptors in Predicting Catalysis Reaction Efficiency and Selectivity
5天前
已完结
Spin Selection Rule in Single-Site Catalysis of Molecular Oxygen Adsorption on Transition-Metal Phthalocyanines
5天前
已完结
Communications: Exceptions to the d-band model of chemisorption on metal surfaces: The dominant role of repulsion between adsorbate states and metal d-states
5天前
已完结
Effects ofd-band shape on the surface reactivity of transition-metal alloys
9天前
已完结
A Molecular Perspective on the d-Band Model: Synergy Between Experiment and Theory
9天前
已完结
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