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182 results for “cations”
Supporting data files for "A consistent picture of phosphate-divalent cations binding from models with implicit and explicit electronic polarization"
<p>Additional supporting data for the paper "A consistent picture of phosphate-divalent cations binding from models with implicit and explicit electronic polarization". Includes parameter files, as well as typical input files and analysis scripts to reproduce the simulations.</p>
Visualizing Eigen/Zundel cations and their interconversion in monolayer water on metal surfaces
<p>Here lies the experimental and theoretical data for the manuscript titled " Visualizing Eigen/Zundel cations and their interconversion in monolayer water on metal surfaces" to be published in Science.</p>
Visualizing Eigen/Zundel cations and their interconversion in monolayer water on metal surfaces
<p>Here lies the tabulated data used to create the Figures for the Science manuscript abo0823 titled "Visualizing Eigen/Zundel cations and their interconversion in monolayer water on metal surfaces".</p>
Supporting Data for "Synthesis and electrokinetics of cationic spherical nanoparticles in salt-free non-polar media" (Chemical Science, doi:10.1039/c7sc03334f)
<p>TEM micrographs of diblock copolymer micelles (magnification given in file name).</p> <p>Small-angle X-ray (SAXS) and small-angle neutron scattering (SANS) data (Q [1/Å], I(Q) [SAXS - arbitrary, SANS - 1/cm], error I(Q) [same units]).</p>
Dataset for article Direct Evidence of the Benzylium and Tropylium Cations as the Two Long-Lived Isomers of C7H7+
<p>Dataset for article Direct Evidence of the Benzylium and Tropylium Cations as the Two Long-Lived Isomers of C7H7+ (DOI: 10.1002/cphc.201800744)</p> <p>-1- Experimental data: raw data and python script to build the final data for Figs 1 and 2 of the main manuscript and Figs S1 and S2 of supporting information.</p> <p>-2- Computational results: Gaussian files for all the calculated species.</p>
Supplementary data for "Stability and flexibility of Heterometallic Formate Perovskites with the Dimethylammonium Cation: Pressure-induced Phase transitions and Density Functional Theory Calculations"
<p>Optimized structures for DMANaCr, DMAKCr and DMAZn.</p> <p>For each structure there is a zip-file containing the force constants used for the phonon calculation, the phonon frequencies at the gamma point, the calculated thermal properties and the phonon partial density of states.</p> <p>For further information see the associated paper.</p>
Effect of Organic Cation Size on Structural, Thermochromic, Dielectric and Photoluminescence Properties of Two-Dimensional Lead Iodide Perovskites with Extremally Reduced Dielectric Confinement
<p>Dataset for scientific publication entitled Effect of Organic Cation Size on Structural, Thermochromic, Dielectric and Photoluminescence Properties of Two-Dimensional Lead Iodide Perovskites with Extremally Reduced Dielectric Confinement. </p> <p>This research was supported by the National Science Center (Narodowe Centrum Nauki) in Poland under project No. 2020/38/A/ST3/00214. JKZ acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology.</p>
Absolute reactive cross sections for the reactions of methanimine radical cation (H2CNH+) and its isomer aminomethylene (HCNH2+) with C2H2
<p>This dataset contains the data in text format (.txt files) of the experimental absolute cross sections (with error) for the various products of the reactions of H<sub>2</sub>CNH<sup>+</sup> and HCNH<sub>2</sub><sup>+</sup> with C<sub>2</sub>H<sub>2</sub>. Absolute cross sections are reported as a function of the collision (<em>E<sub>CM</sub></em>) at fixed photon energies (<em>E<sub>phot</sub></em>) and as a function of the photon energy at fixed collision energies. </p> <p>The data are published (as Fig. 2-5) in the following original research paper:</p> <p>Title: <em>Experimental and computational studies on the reactivity of methanimine radical cation (H<sub>2</sub>CNH<sup>+.</sup>) and its isomer aminomethylene (HCNH2<sup>+.</sup>) with C<sub>2</sub>H<sub>2</sub></em></p> <p>Journal: <strong>Frontiers in Astronomy and Space Science - Astrochemistry</strong></p> <p>Research Topic: <a href="http://www.frontiersin.org/Journal/SpecialTopicDetail.aspx?s=79&name=Astrochemistry&st=14997&sname=Exploring_the_Chemical_Universe">Exploring the Chemical Universe</a></p> <p>Editors: Piero Ugliengo, Luca Bizzocchi, Ankan Das</p>
Structures and Properties of Known and Postulated Interstellar Cations
<p>Positive ions play a fundamental role in interstellar chemistry, especially in cold environments where chemistry is believed to be mainly ion driven. We have carried out new accurate quantum chemical calculations to identify the structures and energies of 262 cations with up to 14 atoms that are postulated to have a role in interstellar chemistry. Optimized structures and rotational constants were obtained at the M06-2X/cc-pVTZ level, while electric dipoles and total electronic energies were computed with CCSD(T)/aug-cc-pVTZ//M06-2X/cc-pVTZ single-point energy calculations.</p>
Cation-coordinated inner-sphere CO2 electroreduction at Au-water interfaces-related dataset
<p>ab initio molecular dynamics and slow-growth sampling dataset for CO<sub>2</sub>RR at Au-water-cations interfaces</p>
A complete picture of cation dynamics in hybrid perovskite materials from solid-state NMR spectroscopy
<p> Raw, collated NMR and XRD data for the article "A Complete Picture of Cation Dynamics in Hybrid Perovskite Materials from Solid-State NMR Spectroscopy". For further details see the readme.txt file.</p>
Alkali metal cations modulate the geometry of different binding sites in HCN4 selectivity filter for permeation or block
<p>Dataset underlying findings published in:<br> "Alkali metal cations modulate the geometry of different binding sites in HCN4 selectivity filter for permeation or block"</p>
Data from: Complexes of vertebrate TMC1/2 and CIB2/3 proteins form hair-cell mechanotransduction cation channels
Open the record for dataset details and reuse information.
Correlated nanoimaging of structure and dynamics of cation-polaron coupling in hybrid perovskites
Open the record for dataset details and reuse information.
Extractable soil cations (K, Ca, Mg, Na) for intertussock O and B horizon soils on moist acidic and non-acidic tundra, Arctic LTER 1997.
Extractable soil cations (K, Ca, Mg, Na) for intertussock O and B horizon soils on moist acidic and non-acidic tundra.
Total soil cations (Al, Ca, K, Mg, Na, P) for intertussock O and B horizon soils on moist acidic and non-acidic tundra, Arctic LTER 1997.
Total soil cations (Al, Ca, K, Mg, Na, P) for intertussock O and B horizon soils on moist acidic and non-acidic tundra.
Soil Cation Exchange Capacity by the summation method CEC, Ca, Mg, K: Biodiversity II: Effects of Plant Biodiversity on Population and Ecosystem Processes
Biodiversity II (E120) is designed to determine how the number of plant species affects the dynamics of ecological processes at the population, community, and ecosystem levels. By experimentally manipulating the number of species and the kinds of species, the amount of plant growth and the change from year to year, that result can be examined. Plots are large (9m x 9m actively maintained) and well-replicated, allowing responses of plant pathogens, insect herbivores, seed predators, soil parameters, invasive plant species and other variables to also be studied. Plots were seeded in May 1994 to have 1, 2, 4, 8, or 16 species, with roughly 30 replicates of each diversity level. The species composition of each plot was chosen by random draw from a pool of 18 grassland perennials that included four warm-season (C4) grasses, four cool-season (C3) grasses, four legumes, four non-legume forbs, and two woody species. All species occur in monoculture allowing comparison of responses of each species in monoculture to combinations of these same species. The experiment was established in 1994 by the lead investigators David Tilman, Peter Reich, Johannes Knops, and David Wedin. Experiment 120 is similar to Experiment 123, but it uses larger plots to provide a large capacity for long-term subexperiments.
Measurements of Soil pH and Soil Cations Along an Elevational Gradient
This project is part of a larger examination of site productivity along an elevational gradient. Soil pH was measured at each site. A subset of soil samples were analyzed for soil cations, e.g., K, Ca, Mg, and PO4-P, at each of the five terrestrial gradient plots located at Coweeta Hydrologic Lab, Otto, NC.
McMurdo Dry Valleys Cation, Anion Concentrations Along Lake Sediment/Water Interface
As part of the Long Term Ecological Research (LTER) project in the McMurdo Dry Valleys of Antarctica, a systematic aqueous geochemical sampling program has been undertaken. A series of water samples have been collected and analyzed for major ion chemistry by ion chromatography. The concentrations of ions cover a wide range of total dissolved solids from fresh to hypersaline lake waters. This dataset shows concentrations of lithium, sodium, potassium, magnesium, calcium, iron, chlorine, bromine, and SO4 found along the sediment/water interface of Taylor Valley lakes.
Supporting data files for "Binding of Biologically Relevant Divalent Cations to Aqueous Carboxylates: Molecular Simulations Guided by Raman Spectroscopy"
<p>Parameter files and typical simulation input files that allow replication of the computational work presented in the paper "Binding of Biologically Relevant Divalent Cations to Aqueous Carboxylates: Molecular Simulations Guided by Raman Spectroscopy", authored by Denilson Mendes de Oliveira, Samual R. Zukowski, Vladimir Palivec, Jérôme Hénin, Hector Martinez Seara, Dor Ben Amotz, Pavel Jungwirth and Elise Duboué-Dijon</p>
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Allen Brain Atlas
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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.