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Properties of amorphous and crystalline titanium dioxide from first principles
4个月前
已完结
AIMD study and experimental verification of Ge-doped Fe80P13C7 amorphous soft magnetic alloys
4个月前
已完结
Melting of Zeolitic Imidazolate Frameworks with Different Topologies: Insight from First-Principles Molecular Dynamics
4个月前
已完结
Rational Design of Water Splitting Electrocatalysts through Computational Insights
4个月前
已完结
Microscopic insight into catalytic HCN removal over the CuO surface in chemical looping combustion
4个月前
已完结
Hybrid functionals applied to rare-earth oxides: The example of ceria
5个月前
已完结
Theoretical Description of Carrier Mediated Magnetism in Cobalt Doped ZnO
5个月前
已完结
First-principles calculations to investigate structural, electronic and optical properties of two-dimensional ZnIn2S4
5个月前
已完结
On the magnetic structure of cupric oxide (CuO)
5个月前
已完结
Periodic density functional theory study of maghemite (001) surface. Structure and electronic properties
6个月前
已完结
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