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Mixed Explicit–Implicit Solvation Approach for Modeling of Alkane Complexation in Water-Soluble Self-Assembled Capsules

机译：用于水溶性自组装胶囊中烷烃络合建模的混合明显溶剂化方法

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Henrik Daver; Andrés G. Algarra; Julius Rebek; Jeremy N. Harvey; Fahmi Himo;
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年度 2018
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1. Mixed Explicit-Implicit Solvation Approach for Modeling of Alkane Complexation in Water-Soluble Self-Assembled Capsules [J] . Daver Henrik, Algarra Andres G., Rebek Julius, Journal of the American Chemical Society . 2018,第39期

机译：水溶性自组装胶囊中烷烃络合的混合显式-隐式溶剂化方法
2. Are Mixed Explicit/implicit Solvation Models Reliable for Studying Phosphate Hydrolysis? A Comparative Study of Continuum, Explicit and Mixed Solvation Models [J] . Kamerlin SCL, Haranczyk M, Warshel A Chemphyschem: A European journal of chemical physics and physical chemistry . 2009,第7期

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6. Hydration Thermodynamics of Non-Polar Aromatic Hydrocarbons: Comparison of Implicit and Explicit Solvation Models [O] . Hankyul Lee, Hyung-Kyu Lim, Hyungjun Kim 2018

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7. Solvation free energies for periodic surfaces: comparison of implicit and explicit solvation models [O] . Steinmann, Stephan,, Sautet, Philippe, Michel, Carine 2016

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Mixed Explicit–Implicit Solvation Approach for Modeling of Alkane Complexation in Water-Soluble Self-Assembled Capsules

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