Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
308
datasets available to search
ShareScore release 0.9.0
Dataset results
308 results for “electronic structure”
Band structure of KTaO3 two dimensional electron gas: ARPES data and tight binding fits
<p>The dataset contains the angle resolved photoemission spectroscopy measurements of the band structure of the two dimensional electron gas generated at the KTaO3/Al interface. Both dispersion and constant energy maps near the Fermi level are provided.</p> <p>The experimental data are complemented with tight binding fits (eight bands).</p>
Crystal structure of a 1:1 cocrystal of OPC-167832 with 2,5-dihydroxybenzoic acid using microcrystal electron diffraction
<p>The title cocrystal, OPC-167832 (5-(((3R,4R)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl)methoxy)-8-fluoro-3,4-dihydroquinolin-2(1H)-one); C<sub>21</sub>H<sub>20</sub>ClF<sub>3</sub>N<sub>2</sub>O<sub>4</sub>) and 2,5-dihydroxybenzoic acid (2,5DHBA; C<sub>7</sub>H<sub>6</sub>O<sub>4</sub>) were successfully cocrystallized and the crystal structure was solved via microcrystal electron diffraction.</p>
Electronic Structure Data for "Design of Covalent Organic Frameworks through on-the-fly Batch-based Bayesian Optimization"
<p>This is a dataset of 1736 potential building blocks for the construction of covalent organic frameworks (COF). Electronic structures were calculated with the GFN1-xTB tight binding DFT approach as implemented in the xTB package (v6.2.3). The dataset contains all necessary inputs and outputs from these calculations. Structures were optimised with xTB's internal normal coordinate rational function optimizer (ANCopt) at the default geometry convergence criterion.</p> <p>The dataset contains calculations for two major parameters determining the suitability of the resulting COFs as an organic semiconductor, specifically, the approximate energy alignment of the homo level and the reorganization free energy.</p>
Supplementary data for "Vacancy defect configurations in the metal-organic framework UiO-66: Energetics and electronic structure"
<p>Optimised structures for UiO-66 with various defect configurations in VASP POSCAR format. For naming see the associated paper (DOI:10.1039/c7ta11155j).</p>
3D-structured Supports create complete Data Sets for Electron Crystallography
<p>Each tar file contains the raw files in HDF5 format, together with the XDS.INP file used for data integration.</p> <p>NB: The meta-data in the HDF5 files have no meaning, please refer to the respective XDS.INP file for respective information.</p>
Gaussian16 data for "Dynamic electronic structure fluctuations in the de novo peptide ACC-dimer revealed by first-principles theory and machine learning"
<p>This is the Gaussian 16 input and corresponding output, which was used as input into the machine learning presented in the paper titled "Dynamic electronic structure fluctuations in the de novo peptide ACC-dimer revealed by first-principles theory and machine learning". This upload is required before submission of the paper.<br><br>The 1001 and 100 snapshots from different extractions are preserved in separated directories. Each snapshot directory <code>*_snapshot</code> has the initial GROMACS snapshot <code>test_*.pdb</code> , the geometry after truncating the solvation shell in various formats, the Gaussian16 input, qsub input and the output directory <code>*.1</code> with a JobID number assigned by qsub. The output directory has the standard output from Gaussian in a <code>.log</code> file and <code>grep</code>ed output from the <code>.fchk</code> file in <code>*.out</code> .</p>
Text-fig. 6. Scanning electron micrographs of multicarpellate and apocarpous floral structures from the Early Cretaceous Puddledock locality, Virginia, USA (a, b: PP43701, Puddledock sample 001; c: PP43000x, Puddledock sample 073). a) Anacostia? sp., strongly compressed, elongated receptacle with spirally arranged carpels (red dots; not all shown); note larger size compared to the other floral structures; b) Numerous Anacostia type pollen grains in proximal view from the base of floral structure in (a); note graded reticulum over the proximal pole of the pollen grains; c) Elongated receptacle with numerous carpels in a spiral arrangement, possibly representing an earlier developmental stage of Anacostia? sp. Scale bars = 1 mm (a, c), 10 µm (b). in Multiparted, Apocarpous Flowers From The Early Cretaceous Of Eastern North America And Portugal
Text-fig. 6. Scanning electron micrographs of multicarpellate and apocarpous floral structures from the Early Cretaceous Puddledock locality, Virginia, USA (a, b: PP43701, Puddledock sample 001; c: PP43000x, Puddledock sample 073). a) Anacostia? sp., strongly compressed, elongated receptacle with spirally arranged carpels (red dots; not all shown); note larger size compared to the other floral structures; b) Numerous Anacostia type pollen grains in proximal view from the base of floral structure in (a); note graded reticulum over the proximal pole of the pollen grains; c) Elongated receptacle with numerous carpels in a spiral arrangement, possibly representing an earlier developmental stage of Anacostia? sp. Scale bars = 1 mm (a, c), 10 µm (b).
Origin and Structure of Electromagnetic Generator Regions at the Edge of the Electron Diffusion Region
<p>The data included here is for an article submission to the Physics of Plasmas: MMS special Issue. There are electric field, magnetic field, and particle data files from MMS (cdf files). There are files from Particle-in-Cell simulations (xdmf files, h5 files, and a log file with run info). Included here is the python notebook (ipynb file) used to analyze the simulation data, and two IDL files (generator_fig.pro and Energy_Flux.pro) that were used to produce the panel plots of MMS data in the article.</p>
Text-fig. 45. Scanning electron microscope (SEM) images of "Staminate structure"; Catefica locality, Portugal. a–c) Staminate structure in oblique apical (a), oblique basal (b) and lateral (c) views showing distinct stalk and head with a cluster of about 20 stamens; note bracts at the base of the structure (asterisks) and probable secretory openings in the anther tissues (arrows). Specimen, Catefica 358-S135451 (a–c). Scale bars = 600 Μm (a–c). in The Early Cretaceous Mesofossil Flora Of Catefica, Portugal: Angiosperms
Text-fig. 45. Scanning electron microscope (SEM) images of "Staminate structure"; Catefica locality, Portugal. a–c) Staminate structure in oblique apical (a), oblique basal (b) and lateral (c) views showing distinct stalk and head with a cluster of about 20 stamens; note bracts at the base of the structure (asterisks) and probable secretory openings in the anther tissues (arrows). Specimen, Catefica 358-S135451 (a–c). Scale bars = 600 Μm (a–c).
Text-fig. 44. Scanning electron microscope (SEM, a, b) and synchrotron radiation X-ray tomographic microscopy (SRXTM, c, d) images of "Hexacarpellate flower". a) Lateral view of flower showing epigynous organization with remains of tepals inserted at top of the hypanthium; b) Detail of apical part of flower showing laminar structures (arrows) that may be stamen bases, adhering to, or fused with, the tepals; c) Longitudinal section (orthoslice yz0540) of flower through the median plane showing the epigynous organization and central axis with ovules (arrows); d) Transverse section (orthoslice xy1250) through the ovary of the flower showing the hexagonal outline, the six locules and ovules (arrows) borne near the center of the gynoecium. Specimen, Catefica 153-S174313 (a–d). Scale bars = 300 Μm (a, c), 100 Μm (b, d). in The Early Cretaceous Mesofossil Flora Of Catefica, Portugal: Angiosperms
Text-fig. 44. Scanning electron microscope (SEM, a, b) and synchrotron radiation X-ray tomographic microscopy (SRXTM, c, d) images of "Hexacarpellate flower". a) Lateral view of flower showing epigynous organization with remains of tepals inserted at top of the hypanthium; b) Detail of apical part of flower showing laminar structures (arrows) that may be stamen bases, adhering to, or fused with, the tepals; c) Longitudinal section (orthoslice yz0540) of flower through the median plane showing the epigynous organization and central axis with ovules (arrows); d) Transverse section (orthoslice xy1250) through the ovary of the flower showing the hexagonal outline, the six locules and ovules (arrows) borne near the center of the gynoecium. Specimen, Catefica 153-S174313 (a–d). Scale bars = 300 Μm (a, c), 100 Μm (b, d).
Text-fig. 21. Scanning electron microscope (SEM) images of Ibericarpus cuneiformis gen. et sp. nov.; Catefica locality, Portugal. a) Fruiting structure in lateral view showing numerous small, helically arranged wedge-shaped fruitlets each with a slightly differentiated apical stigmatic region (st); no bracts or scars from bracts, perianth or stamens were observed associated with the entire structure or with individual carpels; b) Apical portions of fruitlets showing differentiation of the stigmatic region (st); c) Detail of apical portion of fruitlet showing slightly raised stigmatic region (st) and possible ventral suture. Specimen, Catefica 49-S115851 (holotype, a–c). Scale bars = 300 Μm (a, b), 100 Μm (c). in The Early Cretaceous Mesofossil Flora Of Catefica, Portugal: Angiosperms
Text-fig. 21. Scanning electron microscope (SEM) images of Ibericarpus cuneiformis gen. et sp. nov.; Catefica locality, Portugal. a) Fruiting structure in lateral view showing numerous small, helically arranged wedge-shaped fruitlets each with a slightly differentiated apical stigmatic region (st); no bracts or scars from bracts, perianth or stamens were observed associated with the entire structure or with individual carpels; b) Apical portions of fruitlets showing differentiation of the stigmatic region (st); c) Detail of apical portion of fruitlet showing slightly raised stigmatic region (st) and possible ventral suture. Specimen, Catefica 49-S115851 (holotype, a–c). Scale bars = 300 Μm (a, b), 100 Μm (c).
Text-fig. 33. Synchrotron radiation X-ray tomographic microscopy (SRXTM, a, c) and scanning electron microscope (SEM, b, d) images of Paisia pantoporata (a–c) and?Paisia sp. (d); Catefica locality, Portugal. a) Lateral view (volume rendering) of flower showing the carpels (c) and the fleshy tepals (t) that have a slightly bulge near the base; b) Pollen grains in situ from stamen showing scattered pores and spiny supratectal ornamentation; c) Transverse section (orthoslice xz1024) through flower showing the pentamerous organization with five tepals (green) five stamens (yellow) and five carpels (red) all on the same radii; d) Lateral view of floral structure with three free carpels borne on the swollen receptacle that has poorly defined facets at the apex indicating the former presence of perianth parts. Specimens, Catefica 49-S101214 (a, c), Catefica 50-S170188 (b), Catefica MM125-P0292 (d). Scale bars = 300 Μm (a, c, d), 6 Μm (b). in The Early Cretaceous Mesofossil Flora Of Catefica, Portugal: Angiosperms
Text-fig. 33. Synchrotron radiation X-ray tomographic microscopy (SRXTM, a, c) and scanning electron microscope (SEM, b, d) images of Paisia pantoporata (a–c) and?Paisia sp. (d); Catefica locality, Portugal. a) Lateral view (volume rendering) of flower showing the carpels (c) and the fleshy tepals (t) that have a slightly bulge near the base; b) Pollen grains in situ from stamen showing scattered pores and spiny supratectal ornamentation; c) Transverse section (orthoslice xz1024) through flower showing the pentamerous organization with five tepals (green) five stamens (yellow) and five carpels (red) all on the same radii; d) Lateral view of floral structure with three free carpels borne on the swollen receptacle that has poorly defined facets at the apex indicating the former presence of perianth parts. Specimens, Catefica 49-S101214 (a, c), Catefica 50-S170188 (b), Catefica MM125-P0292 (d). Scale bars = 300 Μm (a, c, d), 6 Μm (b).
Text-fig. 19. Synchrotron radiation X-ray tomographic microscopy (SRXTM, a–c) of Aristospermum huberi and scanning electron microscope (SEM, d, e) images of Choffaticarpus compactus; Catefica locality, Portugal. a) Volume rendering of strongly flattened, triangular seed with pointed micropylar region; note thin-walled cells of outer integument preserved along the margins of the seed and pitted surface of the crystalliferous inner cells of outer integument where the outer cells are abraded and the narrow, lateral funicle/raphe; b) Volume rendering of seed showing surface of inner integument (endotesta) with cells showing clear imprints of crystals (arrows); c) Longitudinal section (orthoslice yz0241) of seed showing crystalliferous cells of endotesta (white arrows) and the two fiber layers of the tegmen that are perpendicular to each other (inner integument, ii-f, black arrows); d) Fragment of multiparted, apocarpous fruiting structure showing several helically-arranged, laterally flattened, fruitlets; e) Fruitlet in lateral view showing the prominent ventral face with its lateral groove, short attachment scar, and sunken regions of the fruit wall that indicate the probable presence of oil cells. Specimens, Catefica 49-S266049 (a–c), Catefica 49-S172558 (d), Catefica 49-S118675 (e). Scale bars = 300 Μm (a, c–e), 100 Μm (b). in The Early Cretaceous Mesofossil Flora Of Catefica, Portugal: Angiosperms
Text-fig. 19. Synchrotron radiation X-ray tomographic microscopy (SRXTM, a–c) of Aristospermum huberi and scanning electron microscope (SEM, d, e) images of Choffaticarpus compactus; Catefica locality, Portugal. a) Volume rendering of strongly flattened, triangular seed with pointed micropylar region; note thin-walled cells of outer integument preserved along the margins of the seed and pitted surface of the crystalliferous inner cells of outer integument where the outer cells are abraded and the narrow, lateral funicle/raphe; b) Volume rendering of seed showing surface of inner integument (endotesta) with cells showing clear imprints of crystals (arrows); c) Longitudinal section (orthoslice yz0241) of seed showing crystalliferous cells of endotesta (white arrows) and the two fiber layers of the tegmen that are perpendicular to each other (inner integument, ii-f, black arrows); d) Fragment of multiparted, apocarpous fruiting structure showing several helically-arranged, laterally flattened, fruitlets; e) Fruitlet in lateral view showing the prominent ventral face with its lateral groove, short attachment scar, and sunken regions of the fruit wall that indicate the probable presence of oil cells. Specimens, Catefica 49-S266049 (a–c), Catefica 49-S172558 (d), Catefica 49-S118675 (e). Scale bars = 300 Μm (a, c–e), 100 Μm (b).
Text-fig. 28. Scanning electron microscope (SEM) images of stamens and pollen of Endressistemon cateficensis gen. et sp. nov.; Catefica locality, Portugal. a, b) Staminal structure with two lateral stamens and one median structure seen in ventral and dorsal view (orientation unknown) showing that each stamen has a prominent apical extension and two pairs of pollen sacs separated by a narrow connective; both stamens are borne on a common base together with the median structure and their anthers are sessile on the common stalk; note the apical projection of the median structure (asterisk) between the two stamens and the ribs over probable vascular bundles that extend from the common base into the apical projections of both stamens and the median structure (arrows); c) Staminal structure showing two stamens with prominent apical projections and median axis-like structure between the two stamens (arrow); d) Staminal structure showing two stamens with prominent apical projections borne on a common base; e) Staminal structure in (a) and (b), from the same orientation as (b), showing the ribs over probable vascular bundles (yellow) that extend into the apical projections; f) Detail of staminal structure in (a) and (b) showing the fused or strongly adhering apical projections of the two lateral stamens and the median structure (asterisk); g) Monocolpate, reticulate pollen grains from the pollen sacs of stamen in (d). Specimens, Catefica 49-S107778 (holotype, a, b, e, f), Catefica 49-S107769 (c), Catefica 49-S107751 (d, g). Scale bars = 600 Μm (a–d), 300 Μm (e), 100 Μm (f), 6 Μm (g). in The Early Cretaceous Mesofossil Flora Of Catefica, Portugal: Angiosperms
Text-fig. 28. Scanning electron microscope (SEM) images of stamens and pollen of Endressistemon cateficensis gen. et sp. nov.; Catefica locality, Portugal. a, b) Staminal structure with two lateral stamens and one median structure seen in ventral and dorsal view (orientation unknown) showing that each stamen has a prominent apical extension and two pairs of pollen sacs separated by a narrow connective; both stamens are borne on a common base together with the median structure and their anthers are sessile on the common stalk; note the apical projection of the median structure (asterisk) between the two stamens and the ribs over probable vascular bundles that extend from the common base into the apical projections of both stamens and the median structure (arrows); c) Staminal structure showing two stamens with prominent apical projections and median axis-like structure between the two stamens (arrow); d) Staminal structure showing two stamens with prominent apical projections borne on a common base; e) Staminal structure in (a) and (b), from the same orientation as (b), showing the ribs over probable vascular bundles (yellow) that extend into the apical projections; f) Detail of staminal structure in (a) and (b) showing the fused or strongly adhering apical projections of the two lateral stamens and the median structure (asterisk); g) Monocolpate, reticulate pollen grains from the pollen sacs of stamen in (d). Specimens, Catefica 49-S107778 (holotype, a, b, e, f), Catefica 49-S107769 (c), Catefica 49-S107751 (d, g). Scale bars = 600 Μm (a–d), 300 Μm (e), 100 Μm (f), 6 Μm (g).
Relaxation effects in twisted bilayer molybdenum disulfide: structure, stability, and electronic properties
<p><strong>Abstract</strong></p> <p>Manipulating the interlayer twist angle is a powerful tool to tailor the properties of layered two-dimensional crystals. The twist angle has a determinant impact on these systems' atomistic structure and electronic properties. This includes the corrugation of individual layers, formation of stacking domains and other structural elements, and electronic structure changes due to the atomic reconstruction and superlattice effects. However, how these properties change with the twist angle, <em>θ</em>, is not yet well understood. Here, we monitor the change of twisted bilayer (tBL) MoS<sub>2</sub> characteristics as a function of <em>θ</em>. We identify distinct structural regimes, each with particular structural and electronic properties. We employ a hierarchical approach ranging from a reactive force field through the density-functional-based tight-binding approach and density-functional theory. To obtain a comprehensive overview, we analyzed a large number of tBLs with twist angles in the range of <span class="math-tex">\(\theta=0.2^\circ\dots59.6^\circ\)</span>. Some systems include up to half a million atoms, making structure optimization and electronic property calculation challenging. For <span class="math-tex">\(13^\circ \lessapprox \theta \lessapprox 47^\circ\)</span>, the structure is well-described by a moiré regime composed of two rigidly twisted monolayers. At small twist angles (<span class="math-tex">\(\theta\leq3^\circ\)</span> and <span class="math-tex">\(57^\circ\leq\theta\)</span>), a domain-soliton regime evolves, where the structure contains large triangular stacking domains, separated by a network of strain solitons and short-ranged high-energy nodes. The corrugation of the layers and the emerging superlattice of solitons and stacking domains affects the electronic structure. Emerging predominant characteristic features are Dirac cones at <em>K</em> and kagome bands. These features flatten for <em>θ</em> approaching 0<sup>∘</sup> and 60<sup>∘</sup>. Our results show at which range of <em>θ</em> the characteristic features of the reconstruction, namely extended stacking domains, the soliton network, and superlattice, emerge and give rise to exciting electronics. We expect our findings also to be relevant for other tBL systems.</p> <p>DOI: 10.1088/2053-1583/aceb75</p> <p><strong>Overview</strong></p> <p>This repository contains calculation files, optimized structures, and visualization movies for studies of twisted-bilayer MoS<sub>2</sub>, focussing on structural properties and electronic structure. Each directory has its own README.md file with additional information, separated by what data is included and the method used.</p> <p><strong>Geometry optimization</strong></p> <ul> <li>Directory `calc_structure_optimization_ReaxFF`: calculation files of the structure optimization of all studied structures, done with ReaxFF.</li> <li>Directory `calc_structure_optimization_DFT`: validation calculation files of the ReaxFF-optimized structures using DFT optimization.</li> </ul> <p><strong>Electronic structure calculations</strong></p> <ul> <li>Directory `calc_electronic_properties_DFT`: calculation files of electronic structure calculations on the DFT level.</li> <li>Directory `calc_electronic_properties_DFTB`: calculation files of electronic structure calculations on the DFTB level</li> </ul> <p><strong>Results</strong></p> <ul> <li>Directory `structures_rigidly_twisted`: structure files in cif format of the rigidly twisted (flat) systems, labeled by their twist angle.</li> <li>Directory `structures_fully_optimized`: structure files in cif format of the fully ReaxFF-optimized systems, labeled by their twist angle.</li> <li>Directory `movies`: visualization of the change of the interlayer distance landscape and the strain fields with the twist angle.</li> <li>Additionally, the script `plot_interlayer_distance.py` is included, which was used to create the individual frames of the movie showing the interlayer distance.</li> </ul>
Scanning Precession Electron Tomography (SPET) for Structural Analysis of Thin Films along Their Thickness
<p> _______________________________________________________________________________<br> | General information: <br> |_______________________________________________________________________________<br> | Article | Scanning Precession Electron Tomography (SPET) for Structural Analysis <br> | | of Thin Films along Their Thickness <br> |<br> | Authors | Sara Passuti, Julien Varignon, Adrian David, Philippe Boullay <br> |<br> | Journal | Symmetry 2023, 15, 1459 <br> | <br> | DOI | 10.3390/sym15071459 <br> | <br> | Funding | NanED (www.naned.eu)(ESR project 12) <br> | <br> | Project Label | PVO_STO <br> | <br> | Sample Label | PVO_STO <br> | <br> | Dataset description | SPET (scanning precession electron tomography) acquisition on <br> | | the PVO thin film deposited on STO substrate, analyzed in section</p> <p>| | in the form of a TEM lamella. In the main folder the datasets</p> <p>| | corresponding to each one of the analyzed areas of the </p> <p>| | sample at different thicknesses (i.e. distances from the </p> <p>| | interface with the substrate) is found.<br> |______________________________________________________________________________<br> | Experimental <br> |_______________________________________________________________________________<br> | Data Type | Electron diffraction data - 3D ED <br> | <br> | Data collection method | SPET (Scanning Precession Electron Tomography) <br> | <br> | Number of experimental frames | 57 <br> | <br> | tilt range | -50.7° to +43.5° <br> | <br> | Exposure time per frame | 500 ms <br> | <br> | Software used for the data collection | ASI Accos <br> |______________________________________________________________________________<br> | Instrumental: |<br> |_______________________________________________________________________________|<br> | Instrument | Transmission electron microscope <br> | | Jeol F200 <br> | Radiation source | cold FEG <br> | <br> | Accelerating voltage | 200 kV <br> | <br> | Wavelength | 0.0251 Å <br> | <br> | Probe Type | Microdiffraction <br> | <br> | Beam Diameter | 10 nm <br> | <br> | Beam Convergence | Parallel beam, convergence <0.1mrad <br> | <br> | Detector | Hybrid pixel detector ASI Cheetah M3 <br> | <br> | Number of pixels in the image | 512 x 512 <br> | <br> | Pixel size | 55 µm x 55 µm <br> | <br> | Effective camera length | 200 mm <br> | <br> | Calibration constant | 0.00708 Å-1/pixel <br> |______________________________________________________________________________<br> | Sample description: <br> |_______________________________________________________________________________<br> | Name | PVO thin film on STO substrate <br> | | at thickness = 0.52 nm <br> | | film deposited by SPS and cut by FIB <br> | <br> | Chemical composition | PrVO3, SrTiO3 <br> | <br> | Number of crystals contributing | 1 <br> | to the data set <br> |______________________________________________________________________________<br> | Authorship and bibliography <br> |_______________________________________________________________________________<br> | Author of the data | Sara Passuti (ESR 12) <br> | <br> | Related data <br> | <br> |______________________________________________________________________________<br> | Files and data formats <br> |_______________________________________________________________________________<br> | Image format | tiff_16bit <br> | <br> | Folders/files | layer_#1_0.52_nm <br> | | layer_#2_3.28_nm <br> | | layer_#3_4.20_nm <br> | | layer_#4_5.12_nm <br> | | layer_#5_7.88_nm <br> | | layer_#6_9.72_nm <br> | | layer_#7_12.48_nm <br> | | layer_#8_17.08_nm <br> | | layer_#9_29.08_nm <br> | | substrate <br> | | each of the folders contains the respective "tiff" folder containing <br> | | the diffraction patterns in tiff format and the files for the analysis,<br> | | as well as the metadata file with the specific information of the <br> | | dataset <br> ______________________________________________________________________________<br> Notes: <br> _______________________________________________________________________________</p>
Dataset for the article "Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems"
<p>This dataset contains additional material related to the article "Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems". The article is available at <a href="https://doi.org/10.1063/1.5144298">https://doi.org/10.1063/1.5144298</a> (open access).<br> <br> Note that the current version of the dataset is not complete. The complete dataset will be uploaded as soon as possible.</p>
SI for QUESTDB: a database of highly-accurate excitation energies for the electronic structure community
<p>Cartesian coordinates of each molecule (in bohr), Python code associated with the algorithm employed to compute the extrapolated FCI excitation energies and their associated error bars (as well as additional examples for smaller systems), a detailed discussion of each molecule of the QUEST\#5 subset including comparisons with literature data, Excel spreadsheet gathering all benchmark data and additional statistical analyses for various molecular and excitation subsets.</p>
Figs 11–22 in Palp sensory structures in adult caddisflies of the suborder Annulipalpia (Trichoptera): a scanning electron microscopy study
Figs 11–22. Palp sensilla of caddisflies of the suborder Annulipalpia: 11 – N. bimaculata
Figs 7–10 in Palp sensory structures in adult caddisflies of the suborder Annulipalpia (Trichoptera): a scanning electron microscopy study
Figs 7–10. Labial palps of P. apicalis (7–8) and N. bimaculata (9–10) females. 7 – first
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.