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38 积分 2025-08-28 加入
Large-area non-stoichiometric phase transition in transition metal chalcogenide films
1个月前
已完结
Bridging accuracy and efficiency in solid-liquid interface simulations: An accelerated fine-tuning strategy for MgO hydration
1个月前
已完结
Machine-learning-driven modelling of amorphous and polycrystalline BaZrS3
2个月前
已完结
Electronic and magnetic properties of silicon supported organometallic molecular wires: a density functional theory (DFT) study
3个月前
已完结
Correlated electron–nuclear dynamics of photoinduced water dissociation on rutile TiO2
3个月前
已完结
A unique two-phase heterostructure with cubic NiSe2 and orthorhombic NiSe2 for enhanced lithium ion storage and electrocatalysis
4个月前
已完结
Ion migration in hydride materials
4个月前
已完结
A DFT+U study on the oxidative chlorination of CH4 at ceria: the role of HCl
5个月前
已完结
Neutron scattering and neural-network quantum molecular dynamics investigation of the vibrations of ammonia along the solid-to-liquid transition
6个月前
已完结
Correlated electron–nuclear dynamics of photoinduced water dissociation on rutile TiO2
7个月前
已完结
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