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Figure 4
Two-dimensional plots of the differences between the square moduli of the XCSC.1 and SC.1 spin-coupled orbitals for all the considered basis sets. The contours are drawn at [\pm 1\times {10}^{-3}] e bohr−3 and at [\pm 2, 4, 8\times {10}^{n}] e bohr−3 (with n as an integer ranging from −3 to 0) in a plane parallel to and 0.5 Å above the aromatic ring. Red and blue contours indicate positive and negative values, respectively.

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ISSN: 2053-2733
Volume 75| Part 6| November 2019| Pages 778-797
https://doi.org/10.1107/S2053273319011021
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