Results 11 to 20 of about 622,957 (315)
Feature Fusion Deep Learning Model for Defects Prediction in Crystal Structures
Crystals, 2022 Detection of defective crystal structures can help in refute such defective structures to decrease industrial defects. In our research, we are concerned with Silicon nitride crystals.
Abeer Abdulaziz Alarfaj +1 more
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What Can Electron Microscopy Tell Us Beyond Crystal Structures?
European Journal of Inorganic Chemistry, 2016 WZ thanks Professor Jun Yuan for a useful discussion during the revision of this article. The authors wish to thank EPSRC for financial support to the electron microscopy facility (No. EP/F019580/1) and a Platform grant (No. EP/K015540/1).
Wuzong Zhou, Heather F Greer
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Accurate prediction of synthesizability and precursors of 3D crystal structures via large language models [PDF]
Nature CommunicationsAccessing the synthesizability of crystal structures is crucial for transforming theoretical materials into real-world applications. Nevertheless, there is a significant gap between actual synthesizability and thermodynamic or kinetic stability commonly ...
Zhilong Song +4 more
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Crystal structures of 4-(2/3-methoxyphenoxy)phthalonitrile
Acta Crystallographica Section E: Crystallographic Communications, 2023 The syntheses and crystal structures are reported of 4-phenoxy-substituted phthalonitriles with methoxy groups in the ortho- and meta-positions of the terminal benzene rings, respectively, namely, 4-(2-methoxyphenoxy)phthalonitrile and 4-(3 ...
Dmitry Erzunov +5 more
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Crystal engineering in IUCrJ: from `the' crystal structure to `a' crystal structure [PDF]
IUCrJ, 2021 What is 'structure' in the context of a molecular solid?
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Pathological crystal structures [PDF]
Acta Crystallographica Section C Structural Chemistry, 2023 Recent decades have seen enormous changes in the technology of crystal structure analysis, but the interpretation of these data still depends on human judgment, and errors are far from uncommon. Although analysing the crystallographic results with available software tools can catch many types of errors, others can be detected only by combining ...
Raymond, Kenneth, Girolami, Gregory
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Crystal structures of 3-halo-2-organochalcogenylbenzo[b]chalcogenophenes
Acta Crystallographica Section E: Crystallographic Communications, 2022 The structure of the title compounds 3-bromo-2-(phenylsulfanyl)benzo[b]thiophene (C14H9BrS2; 1), 3-iodo-2-(phenylsulfanyl)benzo[b]thiophene (C14H9IS2; 2), 3-bromo-2-(phenylselanyl)benzo[b]selenophene (C14H9BrSe2; 3), and 3-iodo-2-(phenylselanyl)benzo[b ...
Eduardo Q. Luz +7 more
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Comparing crystal structures with symmetry and geometry
npj Computational Materials, 2021 Measuring the similarity between two arbitrary crystal structures is a common challenge in crystallography and materials science. Although there are an infinite number of ways to mathematically relate two crystal structures, only a few are physically ...
John C. Thomas +2 more
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THE CRYSTAL STRUCTURE OF STURMANITE [PDF]
The Canadian Mineralogist, 2004 Sturmanite, ideally Ca6Fe 3+ 2(SO4)2.5[B(OH)4](OH)12•25H2O, is trigonal, P31c, Z = 2, with a 11.188(9), c 21.91(7) A, V 2375.1(5) A 3 . The crystal structure has been refined to an R index of 0.079. As in the case of ettringite, two coaxial elements parallel to [001] can be considered as the most distinctive features of sturmanite.
PUSHCHAROVSKY DY +6 more
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Crystal structure of oxamyl [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2016 The title compound, C7H13N3O3S [systematic name: (Z)-methyl 2-dimethylamino-N-(methylcarbamoyloxy)-2-oxoethanimidothioate], is an oxime carbamate acaride, insecticide and nematicide. The asymmetric unit comprises two independent molecules,AandB. The dihedral angles between the mean planes [r.m.s.
Eunjin Kwon +3 more
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