Convergence of Sampling Kirkwood-Buff Integrals of Aqueous Solutions with Molecular Dynamics Simulations.
作者： Pritam Ganguly , Nico F. A. van der Vegt
DOI: 10.1021/CT301017Q
关键词:
摘要: … discuss two methods for calculating Kirkwood–Buff integrals (… The first method is based on computing running integrals … It is clear that we hardly find a distance range with a well-defined …
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