Found: 21
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A previously unknown cyclic alkanolamine and molecular ranking using the pair distribution function.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 986, doi. 10.1107/S2052520621010088
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- Article
Interpreting the different emissive properties of cyclic triimidazole‐based Cu<sup>I</sup> and Ag<sup>I</sup> coordination polymers: a QTAIM and IQA study.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 865, doi. 10.1107/S2052520621009707
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Can the results of quantum refinement be improved with a continuum‐solvation model?
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 906, doi. 10.1107/S2052520621009574
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Oxonium trans‐bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 1048, doi. 10.1107/S205252062101115X
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Low‐temperature phase transition and high‐pressure phase stability of 1H‐pyrazole‐1‐carboxamidine nitrate.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 996, doi. 10.1107/S2052520621010970
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Electronic structure of (MePh<sub>3</sub>P)<sub>2</sub>[Ni<sup>II</sup>(bdtCl<sub>2</sub>)<sub>2</sub>]·2(CH<sub>3</sub>)<sub>2</sub>SO and (MePh<sub>3</sub>P)[Ni<sup>III</sup>(bdtCl<sub>2</sub>)<sub>2</sub>] (bdtCl<sub>2</sub> = 3,6‐dichlorobenzene‐1,2‐dithiolate)
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 919, doi. 10.1107/S2052520621011495
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Investigation of polar crystalline materials containing hydrochlorothiazide: electron density distribution and optical properties.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 965, doi. 10.1107/S2052520621009914
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- Article
Low‐temperature investigation of natural iron‐rich oxoborates vonsenite and hulsite: thermal deformations of crystal structure, strong negative thermal expansion and cascades of magnetic transitions.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 1021, doi. 10.1107/S2052520621010866
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- Article
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high‐Z′ system deferiprone – an anti‐thalassemia drug.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 946, doi. 10.1107/S205252062100980X
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- Article
K(Na,K)Na<sub>2</sub>[Cu<sub>2</sub>(SO<sub>4</sub>)<sub>4</sub>]: a new highly porous anhydrous sulfate and evaluation of possible ion migration pathways.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 1003, doi. 10.1107/S2052520621010350
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- Article
On the transfer of theoretical multipole parameters for restoring static electron density and revealing and treating atomic anharmonic motion. Features of chemical bonding in crystals of an isocyanuric acid derivative.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 871, doi. 10.1107/S2052520621009690
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Crystal engineering of co‐crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 1035, doi. 10.1107/S2052520621009124
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Structural studies of N‐(methoxysalicylidene)‐fluoroaniline, N‐(methoxysalicylidene)‐chloroaniline and N‐(methoxysalicylidene)‐bromoaniline derivatives.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 974, doi. 10.1107/S2052520621009835
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Crystallography meets orbital‐free DFT – two‐pronged approach towards chemical bonding characteristics in chemical bonding analysis.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 932, doi. 10.1107/S2052520621012440
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- Article
Quo vadis, quantum crystallography?
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 862, doi. 10.1107/S2052520621012336
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Mapping high‐pressure crystallography in a structural chemistry landscape.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 930, doi. 10.1107/S2052520621012075
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- Article
Ibuprofen and sila‐ibuprofen: polarization effects in the crystal and enzyme environments.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 892, doi. 10.1107/S2052520621009379
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- Article
Structures and phase transitions in barium sodium niobate tungsten bronze (BNN).
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 981, doi. 10.1107/S2052520621010301
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Crystal structure of the high‐P polymorph of Ca<sub>2</sub>B<sub>6</sub>O<sub>6</sub>(OH)<sub>10</sub>·2(H<sub>2</sub>O) (meyerhofferite).
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 940, doi. 10.1107/S2052520621009768
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Deformation of polyiodides in Cs<sub>2</sub>I<sub>8</sub> crystals at high pressure.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 934, doi. 10.1107/S2052520621010192
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Kilobytes of kilopascals: high‐pressure depositions of the Cambridge Structural Database.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 6, p. 1012, doi. 10.1107/S2052520621011458
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- Article