The fine effects of high magnetic fields on hyperfine shifts
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1D proton NMR spectra acquired at 400 MHz and 1.2 GHz 1H Larmor frequency with relative temperature calibration curves, for the following complexes: (1) NiSAL-HDPT, NiSAL-MeDPT (NiSAL); (2) CoTp2 (CoTp2); (3) DyDOTA, DyHPDO3A, YbDOTA, YbHPDO3A (DyYb). Output files from CASSCF and DFT calculations performed with ORCA software (orca_output).
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Zenodo创建时间：
2025-12-19
