Lv11
30 积分 2022-02-14 加入
Total Bond Order Density as a Quantum Mechanical Metric for Materials Design: Application to Chalcogenide Crystals
2小时前
求助中
Special quasirandom structures
27天前
已完结
Hydration inhibition mechanism of gypsum on tricalcium aluminate from ReaxFF molecular dynamics simulation and quantum chemical calculation
1个月前
已完结
Accurate descriptions of molecule-surface interactions in electrocatalytic CO2 reduction on the copper surfaces
2个月前
已完结
Density functional theory study of theγ-MnOOH (010) surface: Response to oxygen and water partial pressures and temperature
2个月前
已完结
Structural transition and migration of incoherent twin boundary in diamond
2个月前
已完结
Molecular-level understanding of metal ion retention in clay-rich materials
2个月前
已完结
Complex manganese oxides with the brownmillerite structure: synthesis, crystal chemistry and properties
2个月前
已完结
Phase diagram, structure, and electronic properties of (Ga1−xZnx)(N
2个月前
已完结
First-principles thermodynamics study of phase stability in inorganic halide perovskite solid solutions
3个月前
已完结
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