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Dinitrogen Tetroxide

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Preview of Computation of Isotropic Hyperfine Coupling Constants
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Computation of Isotropic Hyperfine Coupling Constants (11392-2401276_postprint_Angeli_Celestino.pdf)

2.67 MBEN 13 pages
New FOBO-SCF method efficiently calculates isotropic hyperfine coupling constants, accurately handling spin delocalization and polarization without spin contamination.
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isotropic hyperfine coupling constants computation method efficiently calculates accurately handling delocalization polarization contamination

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