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• W2045035962 abstract "Shift change: Relativistic ZORA DFT calculations highlight the various factors (solvent effect, spin–orbit coupling, number and type of metal centres) responsible of the extraordinarily large deshielding of xenon encapsulated in a metallated cryptophane (see figure)." @default.
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• W2045035962 date "2012-05-09" @default.
• W2045035962 modified "2023-10-17" @default.
• W2045035962 title "Understanding the Extraordinary Deshielding of ¹²⁹Xe in a Permetallated Cryptophane by Relativistic DFT" @default.
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• W2045035962 doi "https://doi.org/10.1002/chem.201103979" @default.
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