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28 results for “electronic spectroscopy”
Supplementary data for publication "Mass-Resolved Electronic Circular Dichroism Ion Spectroscopy"
<p>Research data for the main text and supporting information figures of publication "Mass-Resolved Electronic Circular Dichroism Ion Spectroscopy". Figure numbering according to arXiv preprint 2002.01299.</p> <p>Abstract: DNA and proteins are chiral: their three-dimensional structure cannot be superimposed with its mirror image. Circular dichroism spectroscopy is widely used to characterize chiral compounds, but data interpretation is difficult in the case of mixtures. We recorded the electronic circular dichroism spectra of DNA helices separated in a mass spectrometer. We studied guanine-rich strands having various secondary structures, electrosprayed them as negative ions, irradiated them with a UV-vis nanosecond OPO laser, and measured the difference in electron photodetachment efficiency between left and right circularly polarized light. The reconstructed circular dichroism ion spectra resemble their solution counterparts, thereby allowing us to assign the DNA helical topology. The ability to measure circular dichroism directly on biomolecular ions expands the capabilities of mass spectrometry for structural analysis.</p>
Data for "FC2DES: Modeling 2D electronic spectroscopy for the Generalized Brownian Oscillator Molecular Hamiltonian"
<p>Within is the 2DES presented in the manuscript: "FC2DES: Modeling 2D electronic spectroscopy for the Generalized Brownian Oscillator Molecular Hamiltonian" as well as the parameter and input files used to create the spectra via the Python code package MolSpecPy.</p>
Raw data: Electronic and Structural Property Comparison of a Novel vs. a Commercial Iridium-based OER Catalysts Enabled by Operando Ir L3-edge X-ray Absorption Spectroscopy
<p>Raw data for the manuscript titled:</p> <p><strong>Electronic and Structural Property Comparison of a Novel vs. a Commercial Iridium-based OER Catalysts Enabled by <em>Operando </em>Ir L3-edge X-ray Absorption Spectroscopy</strong></p> <p> </p>
Urocanic acid as a novel scaffold for next-gen nature-inspired sunscreens: I. Electronic laser spectroscopy under isolated conditions - dataset
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The valence electron affinity of uracil determined by anion cluster photoelectron spectroscopy
<p>Connor J. Clarke, E. Michi Burrow, Jan R. R. Verlet</p> <p> </p>
Spectral data associated to the publication: "VIS spectroscopy of NaCl - water ice mixtures irradiated with 1 and 5 keV electrons under Europa's conditions: Formation of colour centres and Na colloids " by R. Cerubini et al. (Icarus 379, 2022)
<p>This is the complete set of experimental VIS reflectance data collected by R. Cerubini and co-authors for the article "VIS spectroscopy of NaCl - water ice mixtures irradiated with 1 and 5 keV electrons under Europa's conditions: Formation of colour centres and Na colloids" published in Icarus 379 (2022). doi: https://doi.org/10.1016/j.icarus.2022.114977.</p> <p>The article itself is published in open-access and provides the methodology for the spectral aquisitions, discussion of the errors and uncertainties, analysis of the spectra and implications for the composition of Solar System surfaces.</p> <p>The data are contained in ASCII files (columns separated by comma). The first column is the wavelength (in micrometers) and the other columns contain the reflectance data (in unit of reflectance factor). The different compositions are indicated in the filenames and correspond directly to the figures in the published paper.</p> <p> </p>
Data from two dimensional electronic spectroscopy showing that photosynthesis tunes quantum-mechanical mixing of electronic and vibrational states to steer exciton energy transfer
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Electronic structure fingerprints of nickel-cobalt-manganese oxide from x-ray spectroscopy and high-throughput ab initio calculations
<p>AiiDA archives of the calculations presented in the paper "Electronic structure fingerprints of nickel-cobalt-manganese oxide from x-ray spectroscopy and high-throughput <em>ab initio</em> calculations".</p> <p> </p> <ul> <li>structures_and_general_info.aiida: The "EnumlibCalcJob" to generate the structural candidates, the resulting initial structures and AiiDA "Dict" nodes containing the mapping of the different steps (via their corresponding <em>uuid</em>) to each structure.</li> <li>pre_optimization.aiida: The relevant calculations to perform the pre-relaxation.</li> <li>optimization.aiida: The relevant calculations to perform the final structural optimization.</li> <li>electronic_structure.aiida: The bandstructure and DOS/PDOS calculations. All preliminary calculations such as SCF and NSCF calculations to obtain the eigenvalues are included as well.</li> </ul> <p>Finally, the Pandas DataFrame containing the PDOS for each site of all the structures (resolved into orbital and spin contributions) which builds the foundation for the presented analysis is stored in the `pickle` format in `pdos_all.pckl`.</p>
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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.
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.