Lv5
978 积分 2026-05-09 加入
Deciphering the complexities of crystalline state(s) with molecular simulations
2个月前
已完结
An ab initio molecular dynamics method for cocrystal prediction: validation of the approach
2个月前
已完结
Thermodynamic Stability Is a Poor Indicator of Cocrystallization in Models of Organic Molecules
2个月前
已完结
Organic crystal structure prediction and its application to materials design
2个月前
已完结
Predicting crystal structures of organic compounds
2个月前
已完结
Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure Prediction
2个月前
已完结
Thermal response of encapsulated nanoscale phase change materials with crosslink: A molecular dynamics study
2个月前
已完结
Cl-induced passivity breakdown in α-Fe2O3 (0001), α-Cr2O3 (0001), and their interface: A DFT study
3个月前
已完结
Adhesion strength and stability of Cu(111)/TiC(111) interface in composite coatings by first principles study
3个月前
已完结
Revealing the adhesion strength and electronic properties of Ti3SiC2/Cu interface in Ti3SiC2 reinforced Cu-based composite by a first-principles study
3个月前
已完结
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