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soft_balls [2012/06/15 08:25] niki |
soft_balls [2014/01/25 04:45] (current) |
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| A and B parameters are determined by fitting the models of liquids to experimental data ([[OPLS]]). | A and B parameters are determined by fitting the models of liquids to experimental data ([[OPLS]]). | ||
| - | In the absence of such a possibility they are using quantum mechanics ([[Neon Dimer]]), but do not expect the accuracy above 5-10%. | + | In the absence of such possibility they are using quantum mechanics, but do not expect the accuracy above 5-10%. |