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40 积分 2026-04-10 加入
Atomic-scale insight into the pyrolysis of polycarbonate by ReaxFF-based reactive molecular dynamics simulation
17天前
已完结
Intermolecular interaction mechanisms between dinitrophenol and water: a molecular dynamics and DFT study
17天前
已完结
Adsorption mechanism of phenol, p-chlorophenol, and p-nitrophenol on magnetite surface: A molecular dynamics study
18天前
已完结
Thermal runaway mechanisms and kinetics of benzene nitrification system based on microcalorimetry experiments and ReaxFF molecular dynamics simulation
18天前
已完结
ReaxFF-lg: correction of the ReaxFF reactive force field for London dispersion, with applications to the equations of state for energetic materials
1个月前
已完结
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