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- W4352991010 abstract "Our acetaldehyde-calibrated two-point shift-and-scale correction procedure yields high-accuracy DFT predictions of NMR shifts in a transferable, computationally-efficient and experimentally-convenient manner." @default.
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- W4352991010 date "2023-01-01" @default.
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- W4352991010 title "Simple, accurate, adjustable-parameter-free prediction of NMR shifts for molecules in solution" @default.
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