Structure and dynamics of liquid water with different long-range interaction truncation and temperature control methods in molecular dynamics simulations.
作者： Pekka Mark , Lennart Nilsson
DOI: 10.1002/JCC.10117
关键词:
摘要: … energy shift, or force shift, or Ewald summation on the diffusion coefficient, radial distribution function, the distance-dependent Kirkwood G-factor and potential energy of the TIP3P water …
sci-hub.se 参考文章(45)
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