IUCrJ
@IUCrJ
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IUCrJ is a fully open-access peer-reviewed journal from the International Union of Crystallography (IUCr) reporting high-profile structural science.
Chester, UK
Joined February 2013
Wei, Li, Shi and He: Low-energy tetrahedral networks for carbon and silicon from (2+1)-regular bipartite-like graphs #4CoordinateNetworks #RandomGroupAndGraphTheory #SuperhardCarbon . #IUCr
journals.iucr.org
This study identifies carbon crystal structures as 4-degree quotient graphs and proposes a novel approach for generating 3D 4-coordinate networks using 2D (2+1)-regular bipartite-like graphs. Through...
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Y. Ishii: First high-resolution synchrotron X-ray study of icosahedrite, a natural quasicrystal from the Khatyrka meteorite #Quasicrystals . #IUCr
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Adam F. Sapnik et al.: High-quality ultra-fast total scattering and pair distribution function data using an X-ray free-electron laser @unimib @ucl @UniFAU @UniFreiburg @QUBelfast @koebenhavns_uni @UniofOxford. #IUCr
journals.iucr.org
This work demonstrates that high-quality ultra-fast total scattering data and pair distribution function data can be obtained from a single ∼30 fs pulse at the European XFEL, achieving a record Q...
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We're pleased to announce that Professor Len MacGillivray has been appointed as the new Main Editor for the Chemistry and Crystal Engineering section of IUCrJ @USherbrooke
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Tomoki Imura et al.: Revisiting the co-crystal structure of a DNA glycosylase with photocaged substrate: a suitable time-resolved crystallography target? #DNARepair #PhotocagedSubstrateAnaloga #HOgg1 @osaka_univ_e. #IUCr
journals.iucr.org
Engineered in crystallo photosensitivity in a DNA-repair enzyme is carefully assessed for its suitability as a target for time-resolved crystallographic studies.
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The July issue of IUCrJ is out now including more papers for the IUCr's cross-journal focused issue on Quantum Crystallography
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Akinobu Niozu: Femtosecond X-rays illuminate disordered states during the early stages of crystallization #Crystallization #XRayFreeElectronLasers #CorrelatedFluctuations @Hiroshima_Univ. #IUCr
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Johannes Elferich et al.: In situ high-resolution cryo-EM reconstructions from CEMOVIS #ElectronTomography #IntegrativeStructuralBiology #Imaging @unibern. #IUCr
journals.iucr.org
Vitreous sectioning (CEMOVIS) is an alternative to FIB milling for generating thin samples suitable for cryo-EM imaging. We show that CEMOVIS samples preserve the high-resolution structural details...
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Svetlana A. Korban et al.: Using multiple computer-predicted structures as molecular replacement models: application to the antiviral mini-protein LCB2 @lifeatpurdue. #IUCr
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Birger Dittrich et al.: Benchmarking quantum chemical methods with X-ray structures via structure-specific restraints #QuantumCrystallography #DFTBenchmarking #CrystalStructures . #IUCr
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Hoser and Madsen: Models of thermal motion in small-molecule crystallography #DebyeWallerFactor #ThermalMotion #AnisotropicDisplacementParameters @koebenhavns_uni. #IUCr
journals.iucr.org
This review commemorates the centenary of the Debye–Waller factor, highlighting its significance in quantifying the impact of thermal vibrations on scattering intensities as well as on crystal...
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Richard Dronskowski: Everything you always wanted to know about the Debye–Waller factor but were afraid to ask #DebyeWallerFactor #ThermalMotion #AnisotropicDisplacementParameters @RWTH. #IUCr
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Johannes Möller et al.: Femtosecond X-ray cross-correlation analysis of disordered crystals forming in a supercooled atomic liquid #FemtosecondStudies #Nanocrystals #CorrelatedFluctuations . #IUCr
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We're pleased to announce that a recent IUCrJ paper has been featured on the ESRF website as a Spotlight: . Read the original paper: @esrfsynchrotron
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Andrej Hlinčík et al.: On the flexibility of the multipole model refinement. A DFT benchmark study of the tetrakis(μ-acetato)diaquadicopper model system #HansenCoppensModel #MultipoleModel #Benchmarking . #IUCr
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H. Takakura et al.: High-resolution synchrotron X-ray study of icosahedrite, an icosahedral AlCuFe quasicrystal from the Khatyrka meteorite #IcosahedralModulatedPhases @TUS_PR @UGrenobleAlpes @princeton @UNI_FIRENZE. #IUCr
journals.iucr.org
A single grain of the icosahedral AlCuFe quasicrystal extracted from the Khatyrka meteorite has been studied by means of high-resolution synchrotron X-ray diffraction at the ESRF. We found that the...
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Szymon Grabowski et al.: Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective #Tyramine #Polymorphism #MicrowaveCocrystallization . #IUCr
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Mibuki Hayashi et al.: Accurate temperature dependence of structure factors of l-alanine and taurine for quantum crystallography #QuantumCrystallography . #IUCr
journals.iucr.org
The temperature dependence of accurate structure factors of l-alanine and taurine was measured at the SPring-8 BL02B1 beamline. The quality of the structure factors is evaluated by charge density and...
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