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689 results for “crystals”
Simulation of perovskite thin layer crystallization with varying evaporation rates
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Indomethacin Polymorph δ Revealed to be Two Plastically Bendable Crystal Forms by 3D Electron Diffraction: Correcting a 47-Year-Old Misunderstanding
<p>Raw electron diffraction data of indomethacin polymorphs <span class="math-tex">\(δ\)</span> and <span class="math-tex">\(θ\)</span> obtained via solution and melt crystallization, respectively. Single crystals were grown using microdroplet melt crystallization and crushed to give microcrystals suitable for electron diffraction. Data were collected using a JEOL JEM-2100 LaB6 TEM operated at 200 kV and equipped with a Timepix hybrid pixel detector.</p> <p> </p>
Raw Data for "Automated Bonding Analysis with Crystal Orbital Hamilton Populations"
<p>Raw data corresponding to the following paper: 10.1002/cplu.202200123</p>
Crystallization Behavior and Crystallographic Properties of dl-Arabinose and dl-Xylose Diastereomer Sugars
<p>This dataset was used for the publication: Crystallization Behaviour and Crystallographic Properties of DL-Arabinose and DL-xylose - Crystal Growth and Design - 2022 - doi.org/10.1021/acs.cgd.1c01329</p> <p>All raw data used to create figures will be in .csv file format, images as .jpg. </p> <p>A text file is attached describing the data and referring specifically to the Table of Figure in the publication.<br> </p>
Relating Crystal Structure to Surface Properties: A Study on Quercetin Solid Forms
<p>This dataset was used in the publication "Relating Crystal Structure to Surface Properties: A Study on Quercetin Solid Forms". In this work, the surface properties of two different quercetin solvates (quercetin dihydrate and quercetin DMSO solvate) were studied using molecular (synthonic) modeling and experimental techniques, including inverse gas chromatography (IGC) and contact angle measurements, to establish a relationship between crystal structure and surface properties. The attachment energy model was used to predict morphologies and calculate surface properties through the study of their growth synthons. The modeling results confirmed the surface chemistry anisotropy for the two forms. For quercetin dihydrate, the {010} facets were found to grow mainly by nonpolar offset quercetin–quercetin stacking interactions, thus being hydrophobic, while the {100} facets were expected to be hydrophilic, growing by a polar quercetin–water hydrogen bond. For QDMSO, the dominant facet {002} grows by a strong polar quercetin–quercetin hydrogen bonding interaction, while the second most dominant facet {011} grows by nonpolar π–π stacking interactions. Water contact angle measurements and IGC confirmed a greater overall surface hydrophilicity for QDMSO compared to QDH and demonstrated surface energy heterogeneity for both structures. This work shows how synthonic modeling can help in the prediction of the surface nature of crystalline particles and guide the choice of parameters that will determine the optimal crystal form and final morphology for targeted surface properties, for example, the choice of crystallization conditions, choice of solvent, or presence of additives or impurities, which can direct the crystallization of a specific crystal form or crystal shape.</p>
Data: How Crystal Symmetry Dictates Non-Local Vibrational Circular Dichroism in the Solid State
<p>This data supplements our article <a href="https://onlinelibrary.wiley.com/doi/10.1002/anie.202215599">How Crystal Symmetry Dictates Non-Local Vibrational Circular Dichroism in the Solid State</a></p> <p>We provide a <em>Jupyter</em> notebook and the data files to generate IR and VCD spectra in solid-state using our python package <a href="https://doi.org/10.5281/zenodo.4775330"><em>ChirPy</em></a>.</p>
Supporting dataset -B for "Crystallization of FAPbI3: polytypes and stacking faults"
<p>XYZ trajectories of (100)-seeded MD simulations of crystal growth of FAPbI3</p>
Crystal structure PDB 8PPS, dimeric RbdA EAL, diffraction data and processing
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IN PHYSICS BACKWARD FREQUENCY CONVERTORS BASED ON QUASI-PHASE MATCHED CRYSTALS
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Crystallization of Calcium Carbonate and Calcium Phosphate Phases in Silica Hydrogel: Morphological and Compositional Characterization
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FIGURE 4. 4.1 in Calcite precipitation forms crystal clusters and muscle mineralization during the decomposition of Cambarellus diminutus (Decapoda: Cambaridae) in freshwater
FIGURE 4. 4.1 Anterior view from the cephalothorax into the abdominal region of a translucent 3D model of Cambarellus diminutus sample C7tank in combination with 3D models of calcite clusters on day 7). 4.2 SEM image of the carapace surface with a plumose seta and some kind of bacteria. 4.3 SEM image of the surface of a calcite cluster with parts of the cuticle layers and bacteria. Abbreviations: A, abdominal segment; B, bacteria; C, cuticle; CC, calcite cluster; In, intestine; P, plumose seta. 3D-models were reconstructed based on µ-CT data.
FIGURE 3 in Calcite precipitation forms crystal clusters and muscle mineralization during the decomposition of Cambarellus diminutus (Decapoda: Cambaridae) in freshwater
FIGURE 3. Comparison of the maximum volume of precipitated calcite of samples C1tank to C10tank and C1dist. to C10dist. in dependence of the body size. Specimens without gastroliths (which were in the intermoult phase) are marked with a circle. Specimens with gastroliths are marked by using a filled triangle (early premoult phase), filled squares (late premoult phase) and filled circles (postmoult phase). Also shown are regression lines for individuals without gastroliths (R2 = 0.39) and with gastroliths (R2 = 0.08).
Melting of 2D molecular Crystals
<p>Melting of a number of the crystal polymorphs of a 2D molecule.</p>
Efficiency Optimization of Ge-V Quantum Emitters in Single-Crystal Diamond upon Ion Implantation and HPHT Annealing
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Relaxation times of the modes for liquid crystal dimer CBO3O.Py
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Raw and processed single-crystal diffraction data of the compound [(Ph3PO)2H][AuI4]
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Raw and processed single-crystal diffraction data of the compound DPPM(AuBr)2
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Raw and processed single-crystal diffraction data of the compound [DPPE]2Hg[PF6]2
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Data for publication "Chasing ice crystals: interlinking cloud microphysics and dynamics in cloud seeding plumes with Lagrangian trajectories"
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Crystal structure of Plasmoredoxin, a disulfide oxidoreductase from Plasmodium falciparum crystallized in the presence of Dithiothreitol (DTT)
<p>X-ray data of <span>PDB ID 9KHR submitted for publication</span></p> <p> </p>
ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.