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40 积分 2025-08-28 加入
Ion migration in hydride materials
3天前
已完结
A DFT+U study on the oxidative chlorination of CH4 at ceria: the role of HCl
7天前
已完结
Neutron scattering and neural-network quantum molecular dynamics investigation of the vibrations of ammonia along the solid-to-liquid transition
2个月前
已完结
Correlated electron–nuclear dynamics of photoinduced water dissociation on rutile TiO2
2个月前
已完结
Nicholas Reactions with Carboxylic Acids for the Synthesis of Macrocyclic Diolides
4个月前
已完结
Lattice dynamical, dielectric and thermodynamic properties of LiNH2 from first principles
5个月前
已完结
A First-Principles Calculation of Electronic Properties of LiNH2 and NaNH2
5个月前
已完结
Insights into the anisotropy in hydroxamic acid adsorption on different exposed crystal surfaces of malachite from first-principle calculations
7个月前
已完结
Theoretical calculations and simulations power the design of inorganic solid-state electrolytes
7个月前
已完结
Exploring the effects of defect concentrations and distribution on Li diffusion in Li3OBr solid-state electrolyte using a deep potential model
7个月前
已完结
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