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Applicability of tail-corrections in the molecular simulations of porous mate...

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B2FIND2026-04-11 收录
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Molecular simulations with periodic boundary conditions require to define a certain cutoff distance beyond which pairwise dispersion interactions are neglected. For the...

带有周期性边界条件(periodic boundary conditions)的分子模拟,需定义特定的截断距离(cutoff distance),当超过该距离时,成对色散相互作用将被忽略。针对……

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