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Spin-resolved charge density and wavefunction refinements using MOLLYNX: a review

Subjects: Diffraction; Magnetism; Chemistry

  • Source: Acta Crystallographica Section B, Structural Science, Crystal Engineering and MaterialsActa Crystallographica Section B, Structural Science, Crystal Engineering and Materials, International

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X-ray restrained extremely localized molecular orbitals for the embedding of quantum mechanical calculations

Subjects: Electron density; Field (physics); Chemistry

  • Source: Acta Crystallographica Section B, Structural Science, Crystal Engineering and MaterialsActa Crystallographica Section B, Structural Science, Crystal Engineering and Materials, International

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Synthesis and crystal structure of 1-hydroxy-8-methyl-9H-carbazole-2-carbaldehyde

Subjects: 9h-carbazole; crystal structure; c—h...o hydrogen bonding

  • Source: Acta Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 9, Pp 867-870 (2021)Acta Crystallographica Section E: Crystallographic Communications

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  • 1-10 of  8,702 نتائج ل ""010403 inorganic & nuclear chemistry""