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44 积分 2025-10-03 加入
In silico investigation combining ADMET prediction, periodic DFT calculations, molecular docking, and nanocarrier-based drug delivery analysis for leukemia drugs using a B₂N nanosheet
8天前
已完结
Machine learning-driven accelerated discovery of high-entropy alloys: From composition engineering to multifunctional property prediction
11天前
已完结
Efficient and reversible H2 storage of lithium-functionalized SiC5 monolayer: Insights from DFT investigation
16天前
已完结
Light-metal functionalized boron monoxide monolayers as efficient hydrogen storage material: Insights from DFT simulations
29天前
已完结
Revealing the nucleation mechanism of CVD-prepared hexagonal boron nitride on transition metal surfaces: A study from DFT calculations
1个月前
已完结
Light-metal functionalized boron monoxide monolayers as efficient hydrogen storage material: Insights from DFT simulations
1个月前
已完结
Density functional theory study on hydrogen storage capacity of metal-embedded penta-octa-graphene
1个月前
已完结
Reversible and high-capacity hydrogen storage on two-dimensional monolayer C2N-h2D expected by first-principles calculations
1个月前
已完结
Hydrogen storage in scandium decorated triazine based g-C3N4: Insights from DFT simulations
1个月前
已完结
Hydrogen storage performance of a new two-dimensional B4N4 monolayer decorated with Li atoms: A density functional theory study
1个月前
已完结
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