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Predicting the mechanical properties of polyethylene/Ag nanoparticle composites by molecular simulat
The simulated-annealing basin-hopping(SABH)method[1]implemented into LAMMPS[2](Large-scale Atomic/Molecular Massively Pa......
Understanding Carbon-monoxide Oxidation Mechanism on Ultrathin Palladium Nanowires:The Density Funct
The CO oxidation mechanism catalyzed by two ultrathin palladium nanowires(PdNWs)was investigated by the density function......
