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3,474 results for “electronics”

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zenodo56/100

XAlkeneDB: A database illuminating the electronic ground and excited state quantum chemical features of ethene, propene and butene

<div> <div> <div> The dataset associated with this research has been published in <a href="https://pubs.rsc.org/en/content/articlelanding/2024/sc/d4sc04164j" target="_blank" rel="noopener"> Chem. Sci., 2024,15, 15880-15890.</a> Please cite this journal article when using the data. </div> </div> </div>

opencc-by-4.0Feb 2024View details →

zenodo52/100

Dataset of "Electronic structure and defect states in bismuth and antimony sulphides identified by energy-resolved electrochemical impedance spectroscopy"

Understanding the nature of the defects in the absorber materials, namely point defects, their formation mechanism and the contribution to the properties is essential for the photovoltaic device performance improvement. They are one the reasons why chalcogenide-based solar cells do not yet meet expected high power conversion efficiencies. Here we identify and present energy distribution of defects in Bi2S3 and Sb2S3, and their (SbxBi(100-x))2S3 alloys (with x = 0, 10, 33, 50, 67, 90, 100 at% Sb content) chalcogenides, being explored for emerging photovoltaic applications as they are earth-abundant and highly absorbing in the visible light range. We show that their density of states (DOS) and related parameters can be obtained experimentally by energy-resolved electrochemical impedance spectroscopy (ER-EIS) in a technically simple and quick way, where ER-EIS data are well correlated with theoretical DFT calculations. ER-EIS reveals that in Bi2S3 there are only shallow defects at CBM. In Sb2S3, ER-EIS reveals also midgap states which can be the cause of low electrical conductivity of Sb2S3. We also explain the discrepancy in the reported values of ionisation potentials and the bandgaps of the Bi- and Sb-chalcogenides. Dominant sulphur vacancy defect was identified in Bi- and Sb-chalcogenides whereas in ternary (SbxBi(100-x))2S3 system, merely 10 at.% of Bi transforms the midgap sulphur defects to shallow ones. This provides novel strategy for healing the midgap defects in Sb2S3, which is crucial for boosting the PV performance and tuning the electrical conductivity in Sb2S3.

opencc-by-4.0Nov 2024View details →

zenodo52/100

Supplement to: Electron energy partition across interplanetary shocks

Quick Summary: The three files herein comprise supplemental information and standalone datasets for a three-part study of Electron energy partition across interplanetary shocks that describe the modeling of solar wind electron velocity distribution functions (VDFs) near interplanetary shocks observed by the Wind spacecraft.  Part I of the study (published in the The Astrophysical Journal Supplement Series on July 3, 2019 doi:10.3847/1538-4365/ab22bd) describes the methodology and how the two ASCII files (i.e., those stored here) were created and their contents.  Part I also explains the nuances of the analysis, the limitations of the dataset, and how to use the data within the two ASCII files.  Parts II and III (in preparation) present the statistical results and the detailed analysis of these results in the context of the dependence on relevant interplanetary shock parameters.  Below are the descriptions of each data product starting with the PDF supplemental file to the three-part study and then the associated ASCII files.  First we provide some background/definitions of jargon and terms used in each. Solar Wind Electrons: The solar wind electron VDF below ~1 keV is comprised of cold, dense core (subscript c or ec) population with thermal energies typically in the ~5-15 eV range, a hot, tenuous halo (subscript h or eh) population with thermal energies typically >20-30 eV, and an anti-sunward, field-aligned beam called the strahl or beam/strahl (subscript b or eb) population with thermal energies typically ~few 10s of eV.  Most previous work modeled the core as a bi-Maxwellian and the halo and beam/strahl as bi-kappa VDFs.  The work described in Part I (and the PDF supplement stored here) show that the core is more accurately described by a self-similar model VDF, which reduces to a bi-Maxwellian under appropriate conditions/limits and deviation from Maxwellian quantifies inelasticity in the plasma collisions.  That is, if the plasma were controlled by elastic Coulomb particle-particle collisions (e.g., in the low corona or chromosphere or photosphere), the VDF would relax to a Maxwellian in the absence of other forces.  When the plasma particles undergo inelastic collisions, the VDF profile changes from a Gaussian to something more like a "flattop" or box-like shape. Wind Spacecraft: The Wind spacecraft (<a href="http://wind.nasa.gov">https://wind.nasa.gov</a>) was launched on November 1, 1994 and currently orbits the first Lagrange point between the Earth and sun.  It holds a suite of instruments from gamma ray detectors to quasi-static magnetic field instruments, Bo.  The instruments used in this study and these datasets are the fluxgate magnetometer (MFI), the radio receivers (WAVES), ion Faraday cups (SWE), and the electron and ion electrostatic analyzers (3DP).  The MFI measures 3-vector Bo at ~11 samples per second (sps); the SWE measures reduced VDFs of the thermal proton and alpha-particle populations from which velocity moments are derived and used herein; WAVES observes electromagnetic radiation from ~4 kHz to >12 MHz which provides an observation of the upper hybrid line (also called the plasma line) used to define the total electron density; and 3DP observes full 4π steradian VDFs of electrons and ions from a few eV to ~30 keV which provide both ion velocity moments and the electron VDFs modeled herein. PDF Supplement Description: The PDF document contains descriptions and definitions of relevant interplanetary shock parameters and shock analysis techniques used by the Harvard Smithsonian Center for Astrophysics' Wind shock database at <a href="https://www.cfa.harvard.edu/shocks/wi_data/">https://www.cfa.harvard.edu/shocks/wi_data/</a>.  It describes the details of the symbols/parameters used on the database website and their translation to plasma parameters or shock parameters.  The PDF also defines the shock normal finding techniques listed as two-four character inputs on the database website.  The PDF file lists the shocks analyzed and their relevant parameters in two tables, with the second listing the relevant critical Mach numbers.  Next the PDF provides some extra statistics of the analysis performed in the three-part study on Electron energy partition across interplanetary shocks in the form of histograms comparing differences for different selection criteria (e.g., low versus high Mach number shocks).  Finally, there are detailed descriptions and definitions of the model functions used to fit to the solar wind electron VDFs. Both ASCII files have detailed headers outlining and defining the parameters contained therein.  They also provide column headings where the labels/names of each are defined and/or described in the header.  The headers also provide links to the analysis software used to perform the model fits to the VDFs.  We will first describe the contents of the file labeled Wind_ip_shock_3dp_fit_constraints_electrons.txt (FCONSTS for brevity) and then the file labeled Wind_ip_shock_3dp_fit_results_electrons.txt (FRESULTS for brevity).  Below use the following definitions: <ul> <li>\(N_{s}\) = number density of species s [cm-3] (s = ec for core, eh for halo, eb for beam/strahl, p for proton, etc.)</li> <li>\(B_{o, j}\)= jth component (GSE coordinate basis) of quasi-static magnetic field vector [nT]</li> <li>\(V_{Ts, j}\) = jth component (relative to Bo) of thermal speed of species s [km/s] <ul> <li>\(V_{Ts,j} = \sqrt{{2 k_{B} T_{s,j} \over m_{s}}}\), where \(T_{s, j}\) is the jth component (relative to Bo) of the temperature of species s [eV]</li> </ul> </li> <li>\(V_{os, j}\) = jth component (relative to Bo) of drift speed of species s [km/s] in ion rest frame</li> <li>\(V_{s, j}\) = jth component (GSE coordinate basis) bulk velocity of species s [km/s] in spacecraft frame</li> <li>\(T_{s, tot} = {1 \over 3} (T_{s, \parallel} + 2 \ T_{s, \perp})\), where \(\parallel(\perp)\) is the parallel(perpendicular) component relative to Bo</li> <li>\(s_{es}\) = exponent for the symmetric self-similar model VDF of species s</li> <li>\(\kappa_{es}\) = kappa value for the bi-kappa VDF of species s</li> <li>\(p_{es}(q_{es})\) = parallel(perpendicular) exponent for the asymmetric self-similar model VDF of species s</li> <li>\(\chi_{s}^{2}\) = least chi-squared of fit to species s</li> <li>\(\phi_{sc}\) = spacecraft electric potential [eV]</li> <li>\(\delta R = \lvert 1 - Median(f^{data}/f^{model}) \rvert\) = excess median deviation of fit [%]</li> </ul> FCONSTS File Description: The FCONSTS file contains all the pertinent information used during the fit process for all VDFs that were analyzed including the fit results.  The columns are organized by electron component from core to halo to beam/strahl, in that order, sorted by the time stamp (UTC) of the observed VDF (very first column).  The first column in each set of electron component groups is a numerical indicator of the fit status for that component of the ith VDF.  This is followed by 30 columns consisting of 5 sets of 6 numbers.  Each model function has six fit parameters:  \(N_{s}\) [0], \(V_{Ts, \parallel}\) [1],  \(V_{Ts, \perp}\) [2],  \(V_{os, \parallel}\) [3],  \(V_{os, \perp}\) [4] (or \(p_{es}\) for asymmetric self-similar model VDF), and exponent of fit (i.e., \(s_{es}\), \(\kappa_{es}\), or \(q_{es}\)).  Thus, there are six columns for each of the following for each of the three components (i.e., 18 columns for each of the following in total):  initial guess values, returned fit values, lower limit constraints, upper limit constraints, and a logical value indicating whether the ith fit value sits on the lower (-1) or upper (+1) limit or neither (0).  These columns are followed by four more containing the number of iterations necessary to find the fit values, the least chi-squared value of the fit, the degrees of freedom in the fit process, and a two-letter designator of the model fit function used (defined in the ASCII file header). FRESULTS File Description: The FRESULTS file contains the fit results used in the three-part study.  Again, the first column starts each row with the time stamp (UTC) of the observed VDF.  In the following, all parameters listed with subscript j will correspond to three columns (one for each component) except the drift velocities which only have two for \(\parallel(\perp)\).  That is followed by:  \(N_{p}\) (SWE), \(N_{\alpha}\) (SWE), \(N_{i}\) (3DP), \(T_{p, j}\) (SWE), \(T_{\alpha, j}\) (SWE), \(T_{i, j}\) (3DP), \(B_{o, j}\) (MFI), \(V_{p, j}\) (SWE), \(V_{\alpha, j}\) (SWE), \(V_{i, j}\) (3DP), \(\phi_{sc}\) (multiple instruments), \(\delta R\) (3DP),  \(N_{ec}\) (fit), \(T_{ec, j}\) (fit), \(V_{oec, j}\) (fit), \(\kappa_{ec}\) (fit), \(s_{es}\) (fit), \(p_{es}\) (fit), \(q_{es}\) (fit), reduced \(\chi_{ec}^{2}\) (fit), core fit status, and repeats for the halo and beam/strahl fits.  The last four columns contain, in the following order, the total reduced chi-squared of the model fit of all components combined and fit flags (0 = worst, 10 = best) for each electron component.  Note that all possible exponents are provided for each component but only the one that is not set as a fill value corresponds to the functional form used to model that electron component (e.g., if \(s_{ec}\) is the only non-fill exponent for the core, then the core was modeled as a symmetric self-similar VDF).

opencc-by-4.0May 2019View details →

zenodo52/100

Dataset of "Sensitivity analysis in photodynamics: How the electronic structure controls cis-stilbene photodynamics?"

The techniques of computational photodynamics are increasingly employed to unravel reaction mechanisms and interpret experiments. However, inaccuracies in nonadiabatic dynamics can lead to misinterpretations, particularly when calculated observables exhibit low sensitivity to the underlying dynamics. This issue is exemplified in the photochemistry of cis-stilbene, where similar experimental outcomes have been differently interpreted based on the electronic structures supporting nonadiabatic dynamics.  This study examines the predictions of cis-stilbene photochemistry using trajectory surface hopping methods coupled with various electronic structures (OM3-MRCISD, SA2-CASSCF, XMS-SA2-CASPT2, and XMS-SA3-CASPT2) and assesses their ability to interpret experimental observations. Although the excited-state lifetimes show consistency, ranging from 360 fs to 295 fs, the reaction quantum yields vary significantly.   The quantum yield for cyclization ranges from nearly zero to 35% while the photoisomerization channel can either exceed  50% or be entirely suppressed completely in the second case. Intriguingly, the calculated photoelectron signal is not strikingly different for different reaction scenarios, making the methods seemingly reliable when treated separately Furthermore, analyzing stationary points on the potential energy surface does not reliably predict simulation outcomes, nor does it aid in selecting a specific method before simulations.  Therefore, we advocate for incorporating sensitivity analyses in the simulation protocol. While employing an ensemble of methods is impractical, nonadiabatic simulations with external bias present a resource-efficient approach to achieve this goal.

opencc-by-4.0Aug 2024View details →

zenodo52/100

Low-voltage Secondary Electron Emission Spectromicroscopy using a Scanning Auger Microscope

Secondary electron emission is considered a well-established nano-scale probe for mapping the surface morphology of materials. It has also been demonstrated that secondary electrons (SE) emitted from materials can provide additional information on the local work function, bulk density of state (DOS), surface potential, charging/discharging characteristics, and elemental/chemical properties of bulk materials. The nano-scale lateral resolution and surface sensitivity of low-voltage scanning microscopes give them a unique advantage for the investigation of surfaces. However, the surface contamination caused by exposure to electron beams has always been a limiting factor for this purpose. Since the yield of SE emission is higher than that of Auger emission, the secondary electron emission spectromicroscopy (SEES) performed in an ultra-high vacuum chamber using a scanning Auger microscope (SAM) can be a very powerful tool for surface characterization, especially in the case of ultra-thin materials. We adapt our scanning auger microscope (SAM), equipped with a cylindrical mirror analyzer (CMA) and operated in an ultra-high vacuum, to SEES by tilting the sample holder and applying a negative bias to the sample. We also presented SEES signals of Chromium thin film at low voltages of 500 and 1000 V.

opencc-by-4.0Sep 2024View details →

zenodo52/100

Dataset for Activation of Glassy Carbon Surfaces by Alkaline Anodization Enhances Dopamine Adsorption and Electron-Transfer Kinetics

This dataset provides the raw data to the manuscript"Activation of Glassy Carbon Surfaces by Alkaline Anodization Enhances Dopamine Adsorption and Electron-Transfer Kinetics"published in ChemElectroChemSpecifically, the following measurements are provided:<ul><li>Scanning electrochemical cell microscopy (SECCM). Cyclic voltammetry (E, i) data for each location across the sample. 5 cycles.</li><li>Chronoamperometry (i, t) for the anodization process.</li><li>Atomic Force Microscopy (AFM) topography.</li><li>Raman microscopy</li><li>X-ray photoelectron spectroscopy (XPS)</li><li>Scanning electron microscopy (SEM)</li></ul>

opencc-by-4.0Oct 2023View details →

zenodo48/100

Perceptions of Diversity in Electronic Music: the Impact of Listener, Artist, and Track Characteristics

Data Release and facsimile of the survey, presented in the submission 3238 to the CSCW 2021 conference.

opencc-by-4.0Jan 2021View details →

zenodo48/100

Data for: Ring Current Electron Precipitation During the 17 March 2013 Geomagnetic Storm: Underlying Mechanisms and Their Effect on the Atmosphere

All data are included as MATLAB figure files, png files and MATLAB MAT files.File precipitated_flux.mat contains a 4-D array of values of precipitated electron flux in [1/(s cm^2 keV)] for 289 time points from 16 March 2013 to 19 March 2013, with a 15 min time step; 100 values of energy in a range from 10 keV to 1 MeV, with a 10 keV step; on a spatial grid of 28 by 49 (P, R).netCDF data can be opened with a variety of software tools, including Matlab, Origin or Python.

opencc-by-sa-4.0Nov 2023View details →

zenodo48/100

Supplementary Materials for "Accelerating data sharing and re-use in volume electron microscopy"

The deposition contains supporting materials for "Accelerating data sharing and re-use in volume electron microscopy" Comment <ul> <li>Sample preparation protocol for cell monolayers optimized for serial block face scanning electron microscopy</li> <li>Supporting movies showing models of biological specimens imaged using volume electron microscopy</li> </ul>

opencc-by-4.0Jan 2024View details →

zenodo48/100

Synthetic cryo electron subtomograms containing biomolecular complexes with continuous conformational variability, used for validating TomoFlow method

Two datasets used for validating TomoFlow method, an optical-flow based approach for analyzing continuous conformational variability of biomolecular complexes in cryo electron subtomograms. The TomoFlow method and the methods used to synthesize the two test datasets have been fully described in the following article: "M. Harastani, M. Eltsov, A. Leforestier, S. Jonic, TomoFlow: Analysis of continuous conformational variability of macromolecules in cryogenic subtomograms based on 3D dense optical flow, Journal of Molecular Biology (2021), doi: https://doi.org/10.1016/j.jmb.2021.167381". Additionally, this article describes a test of TomoFlow using one experimental cryo electron tomography dataset (available in EMPIAR and EMDB databases under the accession codes EMPIAR-10679 and EMD-12699).

opencc-by-4.0Nov 2021View details →

zenodo48/100

Dataset of the paper "Control of electronic band profiles through depletion layer engineering in core-shell nanocrystals"

This dataset provides the raw data of the paper "Control of electronic band profiles through depletion layer engineering in core-shell nanocrystals"

opencc-by-4.0Dec 2021View details →

zenodo48/100

Dataset supporting the paper "Electronic decoupling of polyacenes from the underlying metal substrate by sp3 carbon atoms. Communications Physics 3, 159 (2020)"

Dataset corresponding to theoretical calculations of the paper "Electronic decoupling of polyacenes from the underlying metal substrate by sp3 carbon atoms". Communications Physics 3, 159 (2020). <a href="https://doi.org/10.1038/s42005-020-00425-y">https://doi.org/10.1038/s42005-020-00425-y</a>  Two folders corresponding to pentacene and dihydroheptacene structures on Ag(001): <ul> <li>CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (<a href="https://jp-minerals.org/vesta/en/">https://jp-minerals.org/vesta/en/</a>)</li> <li>.siesta files: STM images in WsXM format (<a href="http://www.wsxm.eu/">http://www.wsxm.eu/</a>) simulated using STMpw (<a href="https://doi.org/10.5281/zenodo.3581159">https://doi.org/10.5281/zenodo.3581159</a>).  </li> </ul>

opencc-by-4.0Feb 2022View details →

zenodo48/100

Mapping mineralogical heterogeneities at the nm-scale by scanning electron microscopy in modern Sardinian stromatolites: Deciphering the origin of their laminations

These are the raw or processed data used for a paper published in Chemical Geology by Debrie et al. (2022), entitled "Mapping mineralogical heterogeneities at the nm-scale by scanning electron microscopy in modern Sardinian stromatolites: Deciphering the origin of their laminations", <a href="https://doi.org/10.1016/j.chemgeo.2022.121059">https://doi.org/10.1016/j.chemgeo.2022.121059</a> The data content is summarized in the List_description_of_data.xlsx file

opencc-by-4.0Aug 2022View details →

zenodo48/100

Dataset for simulations of a beamline that controls longitudinal phase space whilst transporting LWFA electrons to an undulator

This dataset relates to a design for a particle accelerator beamline. The beamline transports particles (electrons) from a laser wakefield accelerator (LWFA) source to an undulator. The unique design allows the 'chirp' or 'longitudinal phase space' of the electron distribution to be sheared during transport. The dataset contains: 1) Initial bunch distributions created by the ASTRA generator program and conversion to MAD8 program format; 2) a working MAD8 batch file; 3) Three set-ups of the beamline to provide positive, negative or no shear; 4) Tracking simulation input files to track the initial distributions through each beamline set-up; 5) Output electron distributions that result from each tracking simulation.

opencc-by-4.0Aug 2022View details →

zenodo48/100

Refinements for Bragg coherent X-ray diffraction imaging: Electron backscatter diffraction alignment and strain field computation

Here we present the final crystal reconstructions and analysis scripts for the paper titled "Refinement for Bragg coherent X-ray diffraction imaging: Electron backscatter diffraction alignment and strain field computation" published in Journal of Applied Crystallography, 55, 2022. Please see the README file for more information.

opencc-by-4.0Sep 2022View details →

zenodo48/100

Upward, MeV-class electron beams over Jupiter's Main Aurora; Selected data for

This submission provides selected ASCII data that is utilzed in a scientific study entitled: "Upward, MeV-class electron beams over Jupiter’s Main Aurora".  A PDF of the manuscript is included here.  The 13 authors of this study are identified in the PDF manuscirpt. The data files are labeled according to the figure numbers and panels used in the manuscript.  The PDF of the paper serves to document the qualities of the data submitted. The abstract of the manuscript is as follows:  Abstract: Jupiter’s poleward (Zone II) main aurora exhibits bi-directional electron acceleration; upward acceleration dominates but downward acceleration generates strong aurora. During Juno’s first perijove (PJ1), the upward acceleration manifested as narrow electron angular beams (within ~5 of the magnetic field) over the 30-1200 keV energy range of Juno’s Jupiter Energetic Particle Detector Investigation (JEDI).  These beams can be simply connected (non-uniquely) to >10 to perhaps 100’s of MeV electrons that penetrated the radiation shielding of the camera head of the Magnetometer Investigation’s Advanced Stellar Compass (ASC).  The most intense of those multiple MeV populations are shown to have been highly directional and propagating upwards. How auroral processes generate such beams is unknown.  With azimuthal symmetry assumed (not demonstrated here), these beams provided >1026 s-1 of >30 keV electrons to Jupiter’s vast magnetosphere, a possibly critical and dominating source of energetic electrons to that region and ultimately to Jupiter’s radiation belts.

opencc-by-4.0Apr 2024View details →

zenodo48/100

Mixed ionic-electronic conduction in Ruddlesden-Popper and Dion-Jacobson layered hybrid perovskites with aromatic organic spacers

Characterisation dataset for “Mixed ionic-electronic conduction in Ruddlesden-Popper and Dion-Jacobson layered hybrid perovskites with aromatic organic spacers”, DOI:10.1039/d4tc01010h. Data provided as *.xlsx, *.csv, *tif and *.png files.

opencc-by-4.0May 2024View details →

zenodo48/100

Short-Exposure Transmission Electron Microscopy of Cilia

Noisy and pseudo ground-truth short-exposure transmission electron microscopy (TEM) images of Cilia used to obtain the results depicted in Fig. 3 in the paper "Zero-Shot Denoising of Microscopy Images Recorded at High-Resolution Limits" (Salwig & Drefs et al., 2024). The images were derived based on a dataset provided upon personal communication with the authors of the paper "Denoising of Short Exposure Transmission Electron Microscopy Images For Ultrastructural Enhancement" (Bajíc et al., 2018).  The original dataset consisted of a sequence of 100 noisy short-exposure TEM images of a scene showing a cilium. The images had a resolution of 2048 × 2048 pixels, and each image depicted a slightly shifted version of the scene. The file pseudo-ground-truth.tif was obtained by first aligning all images of the sequence using rigid registration (Marstal et al., 2016) and subsequently computing the pixel-wise median (following a procedure discussed in Bajíc et al., 2018). The file noisy.tif was obtained by randomly selecting one image from the sequence (the 91st image). The images are stored in 16 bit TIF format. For visualization, use an image viewer capable of reading 16 bit images (e.g. ImageJ).

opencc-by-4.0May 2024View details →

zenodo48/100

Data of the article Analysis of the self-archiving policies of journals in the highest rank category of the Finnish journal classification system within computer science, physics and electronic engineering

The publication forum level three journals representing the three fields of science of computer science, computer science and electrical engineering were identified by utilizing the MinEdu field search filter while searching for the top-ranked journals from the publication channel search (https://www.tsv.fi/julkaisufoorumi/haku.php?lang=en), which is based on Field of Science, Statistics Finland classification (https://www.stat.fi/meta/luokitukset/tieteenala/001-2010/index_en.html). The data were extracted during august 2017 consists of total of 127 individual journals. It is worth noting that circa 30 journals were classified into more than one fields of sciences under scrutiny. First, the journals were divided into representing gold and hybrid model journals. Second, green open access policies of the identified hybrid journals were analyzed using Laakso’s (2014) publisher policy coding framework. Also publishers of the individual journals were identified and subsequently added to the data. NOTE! The data includes the shortest embargo to either institutional or subject repositories. For example, Elsevier had no embargo to opening accepted manuscripts from arXiv subject repository and thus no embargoes to Elsevier's journals are included within this datasheet. Data is in CSV. format

opencc-by-4.0Dec 2017View details →

zenodo48/100

Equation-of-Motion Coupled-Cluster Theory based on the 4-component Dirac–Coulomb(–Gaunt) Hamiltonian. Energies for single electron detachment, attachment and electronically excited states: Figures

This entry contains the figures included in the paper titled "Equation-of-Motion Coupled-Cluster Theory based on the 4-component Dirac--Coulomb(--Gaunt) Hamiltonian. Energies for single electron detachment, attachment and electronically excited states", by Avijit Shee, Trond Saue, Lucas Visscher and Andre Severo Pereira Gomes. It accompanies the dataset found at the DOI: 10.5281/zenodo.1320320 There are three figures that use the (original) png files included in <a href="https://zenodo.org/api/files/7bda2e2b-ac69-41aa-a21e-821e88bfb973/original-figures.tar.bz2">original-figures.tar.bz2 </a>: figure 1: Potential energy curves of the spin-orbit split X2Π and A2Π states of the XO molecules, obtained with EOM-IP and the 2DCGM Hamiltonian. figure 2: Internuclear distances (in Angstrom), harmonic vibrational frequencies (in cm−1) and the vertical Ω = 3/2 − 1/2 energy difference (in eV) for the X2Π and A2Π states of the XO molecules, obtained with EOM-IP and the 2DCGM Hamiltonian. figure 3: SO-ZORA/QZ4P/Hartree-Fock (ADF) spinor magnetization plots (isosurfaces at 0.03 a.u.) and energies (in Eh) for the valence spinors of the XO− species (from left to right: X = Cl, Br, I, At, Ts).

opencc-by-4.0Jul 2018View details →

ScienceDex guides

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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.

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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.

allen-brain-atlas

neuroscienceopenDocumentation, web resources, and API references are available online.

Last verified 2026-04-30Open record

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.

abode-home-cage

behavioral-neuroscienceopenThe DataShare record exposes download links for annotations, documentation, license text, and the zipped per-snippet data directory.

Last verified 2026-04-30Open record

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.

dandi-nwb

electrophysiologyopenPublished Dandiset metadata and archive endpoints are available through the production DANDI API.

Last verified 2026-04-30Open record

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.

ibl

behavioral-neuroscienceopenPublic sessions can be searched and loaded from the IBL public data server through ONE.

Last verified 2026-04-29Open record

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.

openneuro

neuroscienceopenPublished datasets are available on demand over the internet.

Last verified 2026-04-29Open record