cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17035/d.2016.0008424132
title: Scandium complexes bearing bis(oxazolinylphenyl)amide ligands: an analysis of their reactivity, solution-state structures and photophysical properties

description: The coordination chemistry of scandium supported by bis(oxazolinylphenyl)amide (R-BOPA) ligands is reported. The R-BOPA ligand is too sterically demanding to afford bis(amide) complexes [Sc(R-BOPA){N(SiMe3)2}2], but reaction of the protio-ligand with [Sc{N(SiMe3)2}2Cl] (1) afforded the mixed amido-chloride complexes [Sc(R-BOPA){N(SiMe3)2}Cl] (2).  The selective reaction of the amido and chloride co-ligands in 2 has been investigated; whilst the chloride ligand can be removed cleanly by metathesis, protonation of the N(SiMe3)2 ligand results in competitive protonation of the R-BOPA ligand.  The complexes [Sc(R-BOPA)(CH2SiMe2Ph)2] (5) have been synthesised.  Each R-BOPA-containing complex exists in two isomeric forms. The equilibrium has been investigated both experimentally and computationally, and the data suggest that a concerted rotation of the phenyl rings interconverts the two diastereomeric isomers.  All of the R-BOPA complexes were found to be luminescent;  an analysis of the photophysics, aided by TD-DFT calculations, suggests ligand-centred luminescence with distinct emission lifetimes for each isomer.    The dataset contains all experimental spectroscopic data (e.g. NMR data), crystallographic data (raw hl files), and computational output (Gaussian format).
DOI: 10.17035/d.2016.0008427040
title: Data relating to "Explicit Detection of the Mechanism of Platinum Nanoparticle Shape Control by Polyvinylpyrrolidone"

description: Polyvinylpyrrolidone (PVP) is a widely used soluble polymer that is used in the production of nanoscale colloidal metal particles. The shape of the nanoparticles produced using this route is controlled by the interaction of the polymer and the functional groups of its monomer units with the facets of the growing nanoparticles. In this work we have used the sensitivity of cyclic voltametry to metal surface Miller index to understand the relative affinity of PVP for (111) and (100) facets of single crystal Pt surfaces. This is coupled with DFT calculations that reveal the preference of the monomer units for the various surface sites. This shows that the PVP interaction with the (100) surface is considerably stronger than with the (111), shedding light on the origins of morphological control for nanoparticle synthesis.  Data sets for titled paper covering CV plots, spectra and VASP DFT calculations.
DOI: 10.17035/d.2016.0008381942
title: The utility of multiple synthesised views in the recognition of unfamiliar faces

description: The current data (SJDDMB_Experiment1_2. xlsx) from two experiments are reported in two tabs. In both tabs data are averaged across trials and participants are organized by rows. For Experiment 1, the first two columns (A & B) represent participant demographics (Age & Gender). The following four columns represent a mean accuracy (i.e., proportion correct) score for each of the four experimental conditions reported in the paper. Scoring a correct answer as 1 and an incorrect answer as 0 and then averaging scores across trials gave a mean accuracy. The experimental conditions comprised computer-generated views created from a single original image (Synthesised Views), the target image alone (Original image), a single test image that displayed a face at the test angle (Test image) and multiple photograph views (Photographic Views). The second measure reported is a confidence-accuracy (CA) score. The CA score was calculated by multiplying accuracy (negatively scored for incorrect answers so 1 = correct and −1 = incorrect) by the confidence score (1: “Not at all confident”, 7:“Extremely confident”, minus 0.5) giving a score between −6.5 and +6.5 in 13 equal steps. Data are again averaged across trials and reported for each experimental condition. The data are organized in a similar fashion for Experiment 2 with the addition of a Distractor column. This column indicates if a participant was shown a distractor face before test.  Results derived from these data are published in the Quraterly Journal fo Experimental Psychology at http://dx.doi.org/10.1080/17470218.2016.1158302 . These experiments explored how introducing multiple views of an individual enhanced later identification. Some of these multiple views were taken as photographs and some were artificially generated.
DOI: 10.17035/d.2016.0008119129
title: Nanosecond laser processing of Vitreloy 1 with single pulses

description: This is the complete data set for a research study that focused on the nanosecond laser processing of Zr41.2Ti13.8Cu12.5Ni10Be22.5 (also known as Vitreloy1 ) using a series of single pulse irradiation. It comprises a number of related data sub-set as follows.  1) The theoretical material temperature evolution with time for a pulse of 140 ns with different fluence values between 4.9 J/cm2 and 43.7 J/cm2.  2) Experimental values for crater diameters and depths obtained for a pulse of 140 ns with different fluence values between 14.6 J/cm2 and 43.7 J/cm2.   3) The theoretical evolution of the thermal diffusivity for silicon and Vitreloy 1 for a temperature range between 300 K and 3000 K.  4) The predicted temporal temperature data at a fluence of 14 J/cm2 for pulse durations of 140 ns, 85 ns, 55 ns and 25 ns. This data sub-set also includes SEM micrographs of single craters obtained for these particular processing conditions.   5) Two SEM micrographs at different magnifications for a crater machined at 15 ns with a fluence of 7.6 J/cm2.  6) The theoretical spatial temperature distribution on the top surface of the Vitreloy 1 material for a pulse of 15 ns using a fluence of 7.6 J/cm2  7)  Measured crater depths and diameters for pulse durations of 140 ns, 85 ns, 55 ns and 25 ns and for fluence values between 10.4 J/cm2 and 43.7 J/cm2.
DOI: 10.17035/d.2016.0008119507
title: Experimental data for Pd-Sn catalysts for the direct synthesis of H2O2 with high selectivity

description: The direct synthesis of hydrogen peroxide (H2O2) from H2 and O2 represents a potentially atom efficient alternative to the current industrial indirect process. We show that the addition of tin to palladium catalysts coupled with an appropriate heat treatment cycle switches-off the sequential hydrogenation and decomposition reactions, enabling selectivities of &gt;95% towards H2O2. This effect arises from a tin oxide surface layer that encapsulates small Pd-rich particles while leaving larger Pd-Sn alloy particles exposed. We show this effect is a general feature for oxide supported Pd catalysts containing an appropriate second metal oxide component and we set out the design principles for producing high selectivity Pd-based catalysts for direct H2O2 production that do not contain Au. Experimental data includes Transmission Electron Microscopy (TEM) and X-ray Photoelectron Spectroscopy (XPS). TEM data is available as digital micrograph (.dm3) formats and TIFF images(.tif) both suitable for use in the freely available ImageJ software or similar packages. The .dm3 file contains metadata in the image which stores microscope and image information. XPS data is presented in the ISO standard VAMAS format (.vms extension) which is an ASCII data file readable by all spectroscopy software supporting the format and includes note field and calibrations applied in CasaXPS software.
DOI: 10.17035/d.2016.0008123122
title: Novel magnetostrictive curvature sensor employing flexible, figure-of-eight coils

description: A curvature sensor was designed and consists of the figure-of-eight coil along with the magnetostrictive material Metglas 2605SA1. The sensor was incorporated in an oscillator circuit, where curvature induced stress within the material changes the amplitude and the frequency of the output signal of the circuit. The output signal of the circuit was measured by an oscilloscope and the readings were recorded. The data comprises: linear change in sensor length produced by sensor curvature; angle between tangents to sensor end points resulting from sensor curvature; circuit frequency; oscillating-signal amplitude. Also given are mean absolute deviation and mean absolute percentage error.
DOI: 10.17035/d.2015.100110
title: Efficient green methanol synthesis from glycerol

description: The production of bio-diesel from the transesterification of plant-derived triglycerides with methanol has been extensively commercialised. Impure glycerol is obtained as a by-product at roughly one tenth the mass of bio-diesel. Utilisation of this crude glycerol is important in improving the viability of the overall process. Here we show that crude glycerol can be reacted with water over very simple basic or redox oxide catalysts to produce methanol in high yields, together with other useful chemicals, in a one-step low pressure process. Our discovery opens up the possibility of recycling the crude glycerol produced during bio-diesel manufacture. Furthermore, we show that molecules containing at least two hydroxyl groups can be converted into methanol demonstrating aspects of generality of this new chemistry.  The dataset contains gas chromatographs which highlight the large product mixtures formed under certain reaction conditions. Also included are injections of certain chemicals that are formed in the reaction to illustrate their retention time on the GC coloumn.
DOI: 10.17035/d.2015.100130
title: Copper(II) complexes of pyridine-oxazoline (Pyox) ligands: coordination chemistry, ligand stability and catalysis

description: The coordination chemistry of copper(II) complexes bearing pyridine-oxazoline (‘‘Pyox”) ligands has been studied, with an aim of investigating their catalytic ability. Interestingly, the stability of the coordinated ligands has been shown to be much less than previously assumed: hydrolysis of the ligands by fortuitous water gives rise to 2-pyridine carboxylate formation, which encapsulate the copper in a two-dimensional coordination polymer 3. The complexes [Cu(R-Pyox)(NCMe)2(ClO4)2] {R = benzyl (Bn) 2a, phenyl (Ph) 2b, isopropyl (iPr) 2c} have been prepared, of which the benzyl derivative has been analysed by CW EPR spectroscopy. The complex [Cu(Bn-Pyox)(NCMe)2(ClO4)2] and the afore-mentioned coordination polymer have been crystallographically characterised. The performance of complexes 2a–c in the asymmetric allylic oxidation of cyclohexene is described.   The X-ray and computational data are provided.
DOI: 10.15468/dl.rmhfw7
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Notholithocarpus densiflorus (Hook. & Arn.) Manos, Cannon & S.H.Oh",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is Living Specimen"
 ]
}

 The dataset includes 8 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019545-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3t56wd
title: Occurrence Download

description: A dataset containing 119 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "OccurrenceStatus is Present",
 "TaxonKey is Pantholops hodgsonii (Abel, 1826)"
 ]
}

 The dataset includes 119 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019544-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.26249/fk2/hxwfxj/ccfran
title: Schmeiduch_Time Dimensions.sav

description: :unav
DOI: 10.26249/fk2/hxwfxj/lugifi
title: readme.pdf

description: :unav
DOI: 10.26249/fk2/hxwfxj
title: Replikationsdaten für: The many dimensions of time: Conceptualizing and measuring temporal aspects in organizations

description: Time is a central variable in organizational life. Many time-related phenomena that are relevant in organizational contexts have been suggested. This stresses the need to consider the complexity of time in organizations. Hence, an overview that conceptualizes a broad range of time-related dimensions can guide researchers and practitioners in understanding organizational phenomena from a temporal perspective, investigating interdependencies between time-related dimensions and outcome variables, or comparing time-related dimensions between organizations, sectors, or broader social entities. The present research aims to contribute to previous research on time in organizations by suggesting a broader, multi-dimensional framework and questionnaire of organizational time-related dimensions. This framework differentiates abstraction levels of time-related dimensions, specifies relations to work-related tasks and activities, and allows for a meaningful categorization of organizational time-related dimensions. The final framework consists of 21 time-related dimensions within six categories on three different levels of abstraction. Based on this framework, a questionnaire for the measurement of 20 of these time-related dimensions is developed demonstrating good overall fit. Relationships between selected time-related dimensions and job attitudes, health-related variables, and occupational characteristics are tested to evaluate nomological validity and gain first insights into relations between organizational time profiles and important organizational outcomes.
DOI: 10.15468/dl.uxw7pt
title: Occurrence Download

description: A dataset containing 514 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Angola",
 "TaxonKey is Brachystegia spiciformis Benth."
 ]
}

 The dataset includes 514 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019546-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.27967431
title: Ixodes ricinus sequences

description: Ixodes ricinus DNA samples from Slovakia were analysed for TROSPA and 16S sequences to confirm identity of the species.
DOI: 10.6084/m9.figshare.27967431.v1
title: Ixodes ricinus sequences

description: Ixodes ricinus DNA samples from Slovakia were analysed for TROSPA and 16S sequences to confirm identity of the species.
DOI: 10.15468/dl.9drkcq
title: Occurrence Download

description: A dataset containing 5765 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is United States of America",
 "GadmGid is USA.36_1",
 "TaxonKey is Chrysemys picta (Schneider, 1783)"
 ]
}

 The dataset includes 5765 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019547-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.18419/darus-4140
title: GALÆXI Scaling

description: &lt;p&gt;
&lt;img src="https://numericsresearchgroup.org/images/icons/galexi.svg" alt="Numerics Research Group"&gt; 
&lt;/p&gt;

&lt;p&gt;This Dataset contains the results of the scaling test cases of the &lt;a href="https://doi.org/10.1016/j.cpc.2024.109388"&gt;GALÆXI Paper&lt;/a&gt; (Section 4).&lt;/p&gt;

&lt;p&gt;The scaling behavior is evaluated using simulations with resolutions ranging from 16384 up to 8.6x10&lt;sup&gt;9&lt;/sup&gt; degrees of freedom using up to 1024 GPUs on JUWELS booster. The provided results contain the raw data of the performance index PID for different loads investigated. The results of the different PIDs are further post-processed to present the strong scaling (speedup over number of devices) and weak scaling (parallel efficiency over number of devices). In case of the strong scaling, results are given with both enabled and disabled streams on the GPU.&lt;/p&gt;
description: This work was funded by the European Union. This work has received funding from the European High Performance Computing Joint Undertaking (JU) and Sweden, Germany, Spain, Greece, and Denmark under grant agreement No 101093393. Moreover, this research presented was funded by Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany’s Excellence Strategy EXC 2075 – 390740016, by the DFG Rebound – 420603919, and in the framework of the research unit FOR 2895. We acknowledge the support by the Stuttgart Center for Simulation Science (SimTech). The authors gratefully acknowledge the Gauss Centre for Supercomputing e.V. (www.gauss-centre.eu) for funding this project by providing computing time through the John von Neumann Institute for Computing (NIC) on the GCS Supercomputer JUWELS at Jülich Supercomputing Centre (JSC) as well as the support and the computing time on “Hawk” and its “Hawk-AI” extension provided by the Supercomputing Centre Stuttgart (HLRS) through the project “hpcdg”. This work was completed in part at the Helmholtz GPU Hackathon, part of the Open Hackathons program. The authors would like to acknowledge OpenACC-Standard.org, JSC, HZDR, and HIDA for their support.
DOI: 10.15468/dl.eecww2
title: Occurrence Download

description: A dataset containing 1302 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Puffinus tenuirostris (Temminck, 1836)",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1302 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019548-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34740/kaggle/dsv/10108115
title: Durian Leaf
DOI: 10.18746/bmth.data.00000389
title: Dataset emotional functioning in Orthorexia nervosa
DOI: 10.15468/dl.n5tfyx
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Nyssa aquatica L.",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is Living Specimen"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019549-241126133413365/datasets/export for details.
DOI: 10.18419/darus-4138
title: GALÆXI Application: NASA Rotor 37

description: &lt;p&gt;
&lt;img src="https://numericsresearchgroup.org/images/icons/galexi.svg" alt="Numerics Research Group"&gt; 
&lt;/p&gt;

&lt;p&gt;This Dataset contains the setup data for the NASA Rotor 37 test case which corresponds to the application section in the &lt;a href="https://doi.org/10.1016/j.cpc.2024.109388"&gt;GALÆXI Paper&lt;/a&gt; (Section 6).&lt;/p&gt;

&lt;p&gt;Reference (&lt;a href="https://ntrs.nasa.gov/citations/19780025165"&gt;Link&lt;/a&gt;):&lt;br&gt;
L. Reid, R. D. Moore, Design and overall performance of four highly
loaded, high speed inlet stages for an advanced high-pressure-ratio core
compressor, Technical Report 1337, NASA Lewis Research Center,
Cleveland, OH, United States, 1978.&lt;/p&gt;

&lt;p&gt;Executable of FLEXI/GALÆXI can be built using the 
&lt;code&gt;build.py&lt;/code&gt; script:&lt;/p&gt;
&lt;blockquote&gt;&lt;code&gt;python3 build.py ./build-folder ./userblock.txt&lt;/code&gt;&lt;/blockquote&gt;

Note: Please ensure that all necessary dependencies of GALÆXI/FLEXI are available (including CUDA) and a Python3 environment is installed on the system. Moreover, the NASA rotor test case is a large scale setup, such that a consumer GPU/CPU might not be able to run the case.
description: This work was funded by the European Union. This work has received funding from the European High Performance Computing Joint Undertaking (JU) and Sweden, Germany, Spain, Greece, and Denmark under grant agreement No 101093393. Moreover, this research presented was funded by Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany’s Excellence Strategy EXC 2075 – 390740016, by the DFG Rebound – 420603919, and in the framework of the research unit FOR 2895. We acknowledge the support by the Stuttgart Center for Simulation Science (SimTech). The authors gratefully acknowledge the Gauss Centre for Supercomputing e.V. (www.gauss-centre.eu) for funding this project by providing computing time through the John von Neumann Institute for Computing (NIC) on the GCS Supercomputer JUWELS at Jülich Supercomputing Centre (JSC) as well as the support and the computing time on “Hawk” and its “Hawk-AI” extension provided by the Supercomputing Centre Stuttgart (HLRS) through the project “hpcdg”. This work was completed in part at the Helmholtz GPU Hackathon, part of the Open Hackathons program. The authors would like to acknowledge OpenACC-Standard.org, JSC, HZDR, and HIDA for their support.
DOI: 10.15468/dl.estzaq
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is malawi-scarabaeoidea-biodiversity-data",
 "TaxonKey is Diastellopalpus neavei Orbigny, 1914"
 ]
}

 The dataset includes 7 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019550-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kqaaux
title: Occurrence Download

description: A dataset containing 3082 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Sebastes variegatus Quast, 1971",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 3082 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019551-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5qr6g2
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Procellaria tenuirostris Temminck, 1836",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019552-241126133413365/datasets/export for details.
DOI: 10.15468/dl.8zgwvf
title: Occurrence Download

description: A dataset listing the 445 species recorded in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((2.93516 50.31714,2.93412 50.31672,2.93334 50.31595,2.93286 50.31423,2.93334 50.31254,2.93447 50.31096,2.93599 50.31007,2.93738 50.30985,2.9395 50.30968,2.94167 50.30979,2.94389 50.31043,2.94575 50.31124,2.94697 50.31246,2.94762 50.31351,2.94736 50.31495,2.94662 50.31617,2.94501 50.3173,2.9425 50.31827,2.9405 50.3185,2.93811 50.31847,2.93555 50.31758,2.93434 50.31681,2.93516 50.31714))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset's 445 records were derived from 27 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019532-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.smhw6n
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Nyssa ogeche W.Bartram ex Marshall",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is Living Specimen"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019553-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.