Search Results - diffraction: structure function

XRDlicious: an interactive web‐based platform for online calculation of diffraction patterns and radial distribution functions from crystal structures by Lebeda, Miroslav, Drahokoupil, Jan, Veřtát, Petr, Svoboda, Šimon, Smola, Vojtěch, Ahmed, Ubaid, Vlčák, Petr

“…) and partial and total radial distribution functions [(P)RDFs] from crystal structures. It features a user‐friendly browser‐based interface that supports widely used structural file formats, such as CIF, POSCAR, XYZ and LMP…”
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Atomic-scale structure of RCo2 (R Tb,Dy) compounds studied by X-ray diffraction and pair distribution function analysis by Kou, Ronghui, Li, Yongkui, Ma, Guofeng

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Using Complementary Methods of Synchrotron Radiation Powder Diffraction and Pair Distribution Function to Refine Crystal Structures with High Quality Parameters—A Review by Lee, Seungyeol, Xu, Huifang

“…Determination of the atomic-scale structures of certain fine-grained minerals using single-crystal X-ray diffraction (XRD…”
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Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C23H21N5O9 by Schmidt, Martin U., Brühne, Stefan, Wolf, Alexandra K., Rech, Anette, Brüning, Jürgen, Alig, Edith, Fink, Lothar, Buchsbaum, Christian, Glinnemann, Jürgen, Van De Streek, Jacco, Gozzo, Fabia, Brunelli, Michela, Stowasser, Frank, Gorelik, Tatiana, Mugnaioli, Enrico, Kolb, Ute

“…‐distribution function (PDF) of the α phase is consistent with the determined crystal structure…”
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PDFgetN: a user-friendly program to extract the total scattering structure factor and the pair distribution function from neutron powder diffraction data by Peterson, P. F., Gutmann, M., Proffen, Th, Billinge, S. J. L.

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Importance of potassium ions for ribosome structure and function revealed by long-wavelength X-ray diffraction by Rozov, Alexey, Khusainov, Iskander, El Omari, Kamel, Duman, Ramona, Mykhaylyk, Vitaliy, Yusupov, Marat, Westhof, Eric, Wagner, Armin, Yusupova, Gulnara

“… Despite the vast biochemical data regarding the importance of metal ions for efficient protein synthesis and the increasing number of ribosome structures solved by X-ray crystallography or cryo…”
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Investigation of surface structures by powder diffraction: a differential pair distribution function study on arsenate sorption on ferrihydrite by Harrington, Richard, Hausner, Douglas B, Bhandari, Narayan, Strongin, Daniel R, Chapman, Karena W, Chupas, Peter J, Middlemiss, Derek S, Grey, Clare P, Parise, John B

“…Differential pair distribution function (d-PDF) analysis of high energy powder X-ray diffraction data was carried out on 2-line ferrihydrite nanoparticles with arsenate oxyanions adsorbed on the surface to investigate the binding mechanism…”
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Chemical Structures of Specific Sodium Ion Battery Components Determined by Operando Pair Distribution Function and X‐ray Diffraction Computed Tomography by Sottmann, Jonas, Di Michiel, Marco, Fjellvåg, Helmer, Malavasi, Lorenzo, Margadonna, Serena, Vajeeston, Ponniah, Vaughan, Gavin B. M., Wragg, David S.

“…To improve lithium and sodium ion battery technology, it is imperative to understand how the properties of the different components are controlled by their chemical structures…”
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Stratum Corneum Structure and Function Studied by X-ray Diffraction by Hatta, Ichiro

“…X-ray diffraction is one of the powerful tools in the study of a variety of structures in the stratum corneum at the molecular level…”
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Selective recovery of dynamic guest structure in a nanoporous prussian blue through in situ X-ray diffraction: a differential pair distribution function analysis by Chapman, Karena W, Chupas, Peter J, Kepert, Cameron J

“…We use in situ X-ray diffraction to obtain data suitable for differential PDF analysis, providing unique insight into the structure of weakly bound, dynamic N2 molecules in the Prussian blue system Mn3[Co(CN)6]2.x{N2…”
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Pair Distribution Function from Electron Diffraction in Cryogenic Electron Microscopy: Revealing Glassy Water Structure by Souza Junior, João Batista, Schleder, Gabriel Ravanhani, Colombari, Felippe Mariano, de Farias, Marcelo Alexandre, Bettini, Jefferson, van Heel, Marin, Portugal, Rodrigo Villares, Fazzio, Adalberto, Leite, Edson Roberto

“… The local structure of amorphous ice is known from neutron- and X-ray-diffraction studies, techniques appropriate for much larger volumes than those used in cryo-EM…”
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Structure of nanocrystalline MgFe2O4 from X-ray diffraction, Rietveld and atomic pair distribution function analysis by Gateshki, Milen, Petkov, Valeri, Pradhan, Swapan K., Vogt, Tom

“…The three‐dimensional structure of nanocrystalline magnesium ferrite, MgFe2O4, prepared by ball milling, has been determined using synchrotron radiation powder diffraction and employing both Rietveld and atomic…”
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Diffraction driven steep rise of spin structure function gLT= g1+ g2 at small x and DIS sum rules by Ivanov, I.P., Nikolaev, N.N., Pronyaev, A.V., Schäfer, W.

“…We derive a unitarity relationship between the spin structure function g LT( x, Q 2)= g 1( x, Q 2)+ g 2( x, Q 2), the LT interference diffractive structure function and the spin-flip coupling of the pomeron to nucleons…”
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Solving the crystal structures of zeolites using electron diffraction data. II. Density-building functions by Gilmore, Christopher J., Dong, Wei, Dorset, Douglas L.

“…A density‐building function is used to solve the crystal structures of zeolites from electron diffraction data using both two‐ and three…”
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Diffraction pattern of modulated structures described by Bessel functions by Wolny, Janusz, Buganski, Ireneusz, Strzalka, Radoslaw

“… We confirmed in a very smooth way that ordinary Bessel functions of the first kind define envelopes tuning the intensities of the diffraction peaks…”
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Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane by Rawn, C J, Rondinone, A J, Chakoumakos, B C, Circone, S, Stern, L A, Kirby, S H, Ishii, Y

“…Neutron powder diffraction data confirm that hydrate samples synthesized with propane crystallize as structure type II hydrate…”
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The structure and function of glutamate receptors: Mg2+ block to X-ray diffraction by Mayer, Mark L.

“… More recently the power of X-ray crystallography and cryo-EM has been applied to the study of glutamate receptors, revealing their atomic structures, and the conformational…”
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Kinematic diffraction on a structure with periodically varying scattering function by Chernyshov, Dmitry, van Beek, Wouter, Emerich, Hermann, Milanesio, Marco, Urakawa, Atsushi, Viterbo, Davide, Palin, Luca, Caliandro, Rocco

“…A theory is developed to describe the kinematic diffraction response of a crystal when it is subjected to a periodically varying external perturbation…”
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The Green function for diffraction and radiation of regular waves by two-dimensional structures by Mackay, Ed

“…New expressions are derived for the Green function (GF) for diffraction and radiation of waves by a two-dimensional (2D…”
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Communication: X-ray scattering from ionic liquids with pyrrolidinium cations by Santos, Cherry S, Murthy, N Sanjeeva, Baker, Gary A, Castner, Jr, Edward W

“…)amide anion, with alkyl chain lengths of n = 4, 6, 8, and 10. The structure functions display two intense diffraction peaks for values of the scattering vector q in the range from 0.6 to 1.5 Å(-1) for all samples…”
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