On the choice of a reference state for one-step perturbation calculations between polar and nonpolar molecules in a polar environment

Zhixiong Lin, Wilfred F. van Gunsteren. On the choice of a reference state for one-step perturbation calculations between polar and nonpolar molecules in a polar environment. Journal of Computational Chemistry, 34(5):387-393, 2013. [doi]

Authors

Zhixiong Lin

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Wilfred F. van Gunsteren

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