Monte Carlo simulations of liquid acetic acid and methyl acetate with the OPLS potential functions
作者： James M. Briggs , Toan B. Nguyen , William L. Jorgensen
DOI: 10.1021/J100161A065
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摘要: … for liquid acetic acid and methyl acetate using the potential functions … acid and 56.9 C for methyl acetate.8 The intermolecular … The simulation of methyl acetate was equilibrated for 400 K …
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