Lv11
28 积分 2023-03-23 加入
Automerization of Cyclobutadiene: Multiconfiguration Pair-Density Functional Theory Gives High Accuracy Where Unrestricted Kohn-Sham Density Functional Theory Does Not
4小时前
待确认
Constant Potential Thermodynamic Integration for Obtaining the Free Energy Profile of Electrochemical Reaction
11天前
已完结
A Self-Consistent Framework for Tailored Single-Atom Catalysts in Electrocatalytic Nitrogen Reduction
11天前
已完结
Unraveling the Effects of MetalSupport Interaction on Nitrogen Reduction: A Theoretical Study in Au13/BiOCl
11天前
已完结
Selective Interactions between Free-Atom-like d-States in Single-Atom Alloy Catalysts and Near-Frontier Molecular Orbitals
20天前
已完结
Physicochemical, polymeric and microbial modifications of wood toward advanced functional applications: a review
1个月前
已完结
High‐Entropy Lead‐Free Organic–Inorganic Hybrid Perovskites Exhibiting Broad Absorption and Bright Golden Emission for LEDs
1个月前
已完结
A Universal Descriptor for Complicated Interfacial Effects on Electrochemical Reduction Reactions
1个月前
已完结
Atomistic Understanding of Two-dimensional Electrocatalysts from First Principles
1个月前
已完结
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