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- W4285010007 abstract "The JAP model (after Jirásek, Anderson, and Peeks) to retrieve global current strengths from experimental 1 H chemical shifts has been tested with DFT computations. Both global and local tropicities are correctly predicted in most cases and the quantitative agreement is overall fair. An extension of the model is found to give improvement in an exemplary critical case, where the global delocalized current is negligible and the current density map is dominated by local currents." @default.
- W4285010007 created "2022-07-12" @default.
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- W4285010007 date "2022-07-28" @default.
- W4285010007 modified "2023-10-16" @default.
- W4285010007 title "On the JAP Method for the Indirect Determination of Delocalized Currents from Experimental Chemical Shifts**" @default.
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- W4285010007 doi "https://doi.org/10.1002/cphc.202200411" @default.
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