X-ray constrained spin-coupled technique: theoretical details and further assessment of the method

Genoni, A.; Macetti, G.; Franchini, D.; Pieraccini, S.; Sironi, M.

doi:10.1107/S2053273319011021

Acta Crystallographica Section A
Acta Crystallographica
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Figure 2
Three-dimensional plots of the unconstrained SC.0 spin-coupled orbitals (0.06 e bohr⁻³ isosurfaces are plotted). The unconstrained SC.1 spin-coupled orbitals have analogous shapes.

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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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