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• W2022470145 startingPage "17857" @default.
• W2022470145 abstract "Condensed-phase polarizabilities were evaluated for a solute in the presence of a QM treated solvent (using the frozen-density embedding method), and compared to results for a solute surrounded by MM solvent point charges. In this way, the effects of solute–solvent Pauli repulsion on solute polarizabilities could be estimated." @default.
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• W2022470145 date "2014-01-01" @default.
• W2022470145 modified "2023-10-18" @default.
• W2022470145 title "A comparison between QM/MM and QM/QM based fitting of condensed-phase atomic polarizabilities" @default.
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• W2022470145 doi "https://doi.org/10.1039/c4cp02401j" @default.
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