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Yeh and Hummer's simplified estimation method has often been adopted to obtain diffusion coefficients for solute molecules using molecular dynamic simulation. However, the simplified formula is not necessarily valid when a small basic cell is used. T
Externí odkaz:
http://arxiv.org/abs/2205.09323
Autor:
Nagao, Masaaki, Sakida, Shinichi, Benino, Yasuhiko, Nanba, Tokuro, Mukunoki, Atsushi, Chiba, Tamotsu, Kikuchi, Takahiro, Sakuragi, Tomofumi, Owada, Hitoshi
Publikováno v:
In Journal of Non-Crystalline Solids 15 September 2022 592
Autor:
Nagao, Masaaki
Publikováno v:
Journal of Interdisciplinary Economics; July 1998, Vol. 9 Issue: 3 p239-247, 9p