Works matching IS 20525192 AND DT 2021 AND VI 77 AND IP 5
Results: 18
X‐ray restrained extremely localized molecular orbitals for the embedding of quantum mechanical calculations.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 695, doi. 10.1107/S2052520621008477
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- Article
X‐ray diffraction study of the atomic interactions, anharmonic displacements and inner‐crystal field in orthorhombic KNbO<sub>3</sub>.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 728, doi. 10.1107/S2052520621006892
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- Article
Ferromagnetoelectric phases of hexaferrites: a group‐theoretical analysis.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 740, doi. 10.1107/S2052520621007125
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- Article
A new guaninate hydrate K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>−</sup>·H<sub>2</sub>O: crystal structure from 100 to 300 K in a comparison with 2Na<sup>+</sup>·C<sub>5</sub>H<sub>3</sub>N<sub>5</sub>O<sup>2−</sup>·7H<sub>2</sub>O
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 808, doi. 10.1107/S205252062100754X
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Understanding distortions of inorganic substructures in chloridobismuthates(III).
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 763, doi. 10.1107/S2052520621004753
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- Article
Accurate H‐atom parameters for the two polymorphs of l‐histidine at 5, 105 and 295 K.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 785, doi. 10.1107/S205252062100740X
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- Article
Preparation of polyethylene oxide single crystals via liquid gating technology and morphology design strategy.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 819, doi. 10.1107/S2052520621008076
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- Article
Anion substitution and influence of sulfur on the crystal structures, phase transitions, and electronic properties of mixed TiO<sub>2</sub>/TiS<sub>2</sub> compounds.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 833, doi. 10.1107/S2052520621008891
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Crystal structure and magnetic properties of the layered hybrid organic–inorganic compounds M<sub>2</sub>(OH)<sub>2</sub>(C<sub>14</sub>H<sub>8</sub>O<sub>4</sub>) (M = Mn, Fe).
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 801, doi. 10.1107/S2052520621007988
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A general model for the crystal structure of orthorhombic martensite in Ti alloys.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 749, doi. 10.1107/S2052520621007976
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- Article
N‐Representable one‐electron reduced density matrices reconstruction at non‐zero temperatures.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 683, doi. 10.1107/S2052520621007228
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- Article
Spin‐resolved charge density and wavefunction refinements using MOLLYNX: a review.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 706, doi. 10.1107/S2052520621008222
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The influence of refinement strategies on the wavefunctions derived from an experiment.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 715, doi. 10.1107/S2052520621008258
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Analytical description of nanowires. I. Regular cross sections for zincblende and diamond structures. Corrigendum.
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- 2021
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- Correction Notice
Self‐assembling of three rare structurally various homomultinuclear Cu<sup>II</sup> complexes derived from a bis(salamo)‐based multioxime ligand.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 848, doi. 10.1107/S2052520621008441
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Crystal and magnetic structures of R<sub>2</sub>Ni<sub>1.78</sub>In compounds (R = Tb, Ho, Er and Tm).
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 824, doi. 10.1107/S2052520621008179
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Structure of boehmite‐derived γ‐alumina and its transformation mechanism revealed by electron crystallography.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 772, doi. 10.1107/S2052520621008027
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- Article
The need for a new generation of substructure searching software.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 5, p. 676, doi. 10.1107/S2052520621007599
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- Article