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Dataset results
501 results for “Charging”
EPR dataset : Superlattice Induced by Charge Order in the Organic Spin Chain (TMTTF)2X (X = SbF6, AsF6, and PF6) Revealed by High-Field Electron Paramagnetic Resonance
<p>Dataset for the reference</p> <p>10.1021/acs.jpclett.8b02070</p>
Original data for: "Nanoscale imaging of mobile carriers and trapped charges in doped silicon p–n junctions"
<p>Original data from the publication.</p>
Dataset for Hohls et al "Controlling the error mechanism in a tunable-barrier non-adiabatic charge pump by dynamic gate compensation"
<p>Dataset for Hohls et al "Controlling the error mechanism in a tunable-barrier non-adiabatic charge pump by dynamic gate compensation", <a href="https://arxiv.org/abs/2112.10713">https://arxiv.org/abs/2112.10713</a></p>
Dataset for "Enhanced charge density wave coherence in a light-quenched high temperature superconductor"
<p>Dataset for "Enhanced charge density wave coherence in a light-quenched high temperature superconductor"</p>
Perylenetetracarboxylic Acid Nanosheets with Internal Electric Fields and Anisotropic Charge Migration for Photocatalytic Hydrogen Evolution
<p> Source data for Perylenetetracarboxylic Acid Nanosheets with Internal Electric Fields and Anisotropic Charge Migration for Photocatalytic Hydrogen Evolution</p>
Survey of customers' perception and adoption with the mandatory plastic bag charging in Japan
<p>We conducted a questionnaire survey of 218 persons of 10s to 60s in Japan via the internet from 11<sup>th</sup> to 14<sup>th</sup>, December 2020, and obtained 200 valid answers. We grouped the respondents according to the adoption of the reduction to use plastic bags; 100 of those answered that they have reduced to use plastic bags (Group 1), 100 of those answered no behavior changes with charging (Group 2). Questionnaire includes questions related to the attempt to reduce plastic shopping bags, observing others' behavior, reuse behavior, pro-environmental habit, environmental risk perception, and a sense of community. We asked the respondents to state to what extent they carry out or concerned about above questions with 5-point Likert scale from 1 (strongly disagree) to 5 (strongly agree).</p>
How to charge while drive: Scheduling point-to-point deliveries of an electric vehicle under overhead wiring
<p>Test data used in Section 5.2</p> <p> </p> <p>|J|_|R|_L_l_h.txt</p> <p>|J|: number of jobs<br> |R|: number of ramps<br> L: highway length<br> l: share of electrification<br> h: instance</p> <p>|J|;|R|;l;</p> <p>|J|: number of jobs<br> |R|: number of ramps<br> l: share of electrification</p> <p>Truck (C;c0;rd;r0;delta+;delta-;)</p> <p>C: maximum charge level<br> c0: initial charge level<br> rd: final position<br> r0: initial position<br> delta+: charging rate<br> delta-: consumption rate</p> <p>Path (p0=0; p1; ...; p|R|=L;)</p> <p>pr: position of ramp r</p> <p>Electrified (#;first elec?; sect):</p> <p>#: number of sections<br> elec?: true => first section electrified (alternating)<br> false => first section NOT electrified (alternating)<br> sect: list of sections<br> (Note: two directions! 0-L and L-0)</p> <p>Jobs (j;lo/delta-;ld/delta-;rd;ro)</p> <p>j: Index<br> lo/delta-: (Total travel distance beyond the highway for picking up)/consumption rate<br> ld/delta-: (Total travel distance beyond the highway for delivering)/consumption rate<br> rd: Ramp where the ECV leaves the highway to deliver<br> ro: Ramp where the ECV leaves the highway to pick up</p> <p>Jobs (ldo):</p> <p>j: Index<br> j': Index<br> ldo: Total travel distance beyond the highway for delivering job j and picking up j' with rdj = roj'<br> (>C: exceeds capacity)</p>
Improved boundary conditions for coupled geospace models: an application in modeling spacecraft surface charging environment
<p>These are simulation results from running the RAM-SCB model coupled with the BATS-R-US model via the Space Weather Modeling Framework (SWMF). Two simulations are conducted. One named as "Simulation I" contains simulation outputs from using the traditional outer boundary conditions for the RAM-SCB (i.e., assuming a Kappa distribution with MHD parameters obtained from the BATS-R-US model). The other one named as "Simulation II" contains simulation output from using the new outer boundary conditions for the RAM-SCB (i.e., combining the Denton's empirical electron flux distribution (E<40 keV) with the MHD-parameterized Kappa distribution). </p> <p>In "simulation_data.zip", three types of simulation results are included: </p> <ul> <li>"BC_simulation_?.zip": the outer boundary conditions of the electron flux at 6.5 Re at five different times (hour=6, 7, 10, 14, 19)</li> <li>"ram_e_d20130317_flux_simulation_?.zip": the differential electron flux in the equatorial plane within 6.5 Re during the March 17, 2013 event</li> <li>"RBSPB20130317.nc": the differential electron flux, and other parameters (ion flux, magnetic fields) along the RBSP-B trajectory.</li> </ul> <p>In "simulation20180410_alongRBSPa.zip", model results during the storm of 2018/04/10 are saved, including the differential electron flux and other parameters (ion flux, magnetic fields) along the RBSP-A trajectory. Both types of simulations are conducted.</p> <p>In "simulation20180826_alongRBSPa.zip", model results during the storm of 2018/08/25-26 are saved, including the differential electron flux, and other parameters (ion flux, magnetic fields) along the RBSP-A trajectory. Both type of simulations are conducted.</p>
Supplementary data: Absorption of charged particles in Perfectly-Matched-Layers by optimal damping of the deposited current
<p>This archive contains the scripts needed to reproduce the figures of the paper "Absorption of charged particles in Perfectly-Matched-Layers by optimal damping of the deposited current" (https://arxiv.org/abs/2201.09084)</p> <p>More specifically, each folder contains:</p> <p>- Input scripts to run the WarpX simulations (this used WarpX 22.06): the corresponding files have names that start with `input`<br> - Script that show how the WarpX simulations were launched: the corresponding files have names that start with `submission`<br> - Jupyter notebooks that show how to plot the results: the corresponding files have names that start with `Plot`</p>
Wide-field optical imaging of electrical charge and chemical reactions at the solid-liquid interface
<p>Data availability for silica measurements</p>
Spectroscopy study of albumin interaction with negatively charged liposome membranes: Mutual structural effects of the protein and the bilayers
<p>Deconvolution of the signals of carbonyl groups in the ATR-FTIR spectra of lipids in the region 1700–1760 cm<sup>−1</sup> obtained during liposome incubation with albumin.</p>
GROMOS-CKP POPS simulations (versions 1 and 2) 298 K with GROMOS NH3 charges and PME
<p>GROMOS-CKP POPS simulations (298 K, starting structure from the CHARMM-GUI with the appropriate hydrogen atoms removed) performed with 1.4 nm cut-offs, PME and a long range dispersion correction. The charges for the NH3 part of the head group are taken from the standard GROMOS force field parameters. Two different simulations generated with different starting velocities are provided (the files are named v1 and v2 for these different simulations). The trajectories contain only the data from 400-500 ns of the simulations (as per the analysis provided on the nmrlipids blog) and additionally they have been processed with trjconv -skip 10 to keep the upload small.</p>
GROMOS-CKP DOPS simulations (versions 1 and 2) 303 K with GROMOS NH3 charges and PME
<p>GROMOS-CKP DOPS simulations (303 K, starting structure from the CHARMM-GUI with the appropriate hydrogen atoms removed) performed with 1.4 nm cut-offs, PME and a long range dispersion correction. The charges for the NH3 part of the head group are taken from the standard GROMOS force field parameters. Two different simulations generated with different starting velocities are provided (the files are named v1 and v2 for these different simulations). The trajectories contain only the data from 400-500 ns of the simulations (as per the analysis provided on the nmrlipids blog) and additionally they have been processed with trjconv -skip 10 to keep the upload small.</p>
GROMOS-CKP DOPS simulations (versions 1 and 2) 303 K with Berger/Chiu NH3 charges and PME
<p>GROMOS-CKP DOPS simulations (303 K, starting structure from the CHARMM-GUI with the appropriate hydrogen atoms removed) performed with 1.4 nm cut-offs, PME and a long range dispersion correction. The charges for the NH3 part of the head group are the same as in the Berger PS simulations (originally taken from the Berger/Chiu PC head group). Two different simulations generated with different starting velocities are provided (the files are named v1 and v2 for these different simulations). The trajectories contain only the data from 400-500 ns of the simulations (as per the analysis provided on the nmrlipids blog) and additionally they have been processed with trjconv -skip 10 to keep the upload small.</p>
GROMOS-CKP POPS simulations (versions 1 and 2) 298 K with Berger/Chiu NH3 charges and PME
<p>GROMOS-CKP POPS simulations (298 K, starting structure from the CHARMM-GUI with the appropriate hydrogen atoms removed) performed with 1.4 nm cut-offs, PME and a long range dispersion correction. The charges for the NH3 part of the head group are the same as in the Berger PS simulations (originally taken from the Berger/Chiu PC head group). Two different simulations generated with different starting velocities are provided (the files are named v1 and v2 for these different simulations). The trajectories contain only the data from 400-500 ns of the simulations (as per the analysis provided on the nmrlipids blog) and additionally they have been processed with trjconv -skip 10 to keep the upload small.</p>
Probing charge redistribution at the interface of self- assembled cyclo-P5 pentamers on Ag(111)
<p>Raw data from the manuscript "Probing charge redistribution at the interface of self-<br>assembled cyclo-P5 pentamers on Ag(111)" by O. Chahib et al.</p>
Inhomogeneous high temperature melting and decoupling of charge density waves in spin-triplet superconductor UTe2
Open the record for dataset details and reuse information.
Data for "Accelerating QM/MM simulations of electrochemical interfaces through machine learning of electronic charge densities"
Open the record for dataset details and reuse information.
Systematic evaluation of lecithin:cholesterol acyltransferase binding sites in apolipoproteins via peptide based nanodiscs: regulatory role of charged residues at positions 4 and 7
<p>Molecular dynamics simulation systems of publication "Systematic evaluation of lecithin:cholesterol acyltransferase binding sites in apolipoproteins via peptide based nanodiscs: regulatory role of charged residues at positions 4 and 7" by Akseli Niemelä and Artturi Koivuniemi.</p>
Dataset for Assessing Charge Transfer Characteristics of Triphenylamine Derivatives
<p>This repository comprises various essential components, including Cartesian coordinates, input files, properties files generated by Orca, and a Python script enabling the complete recreation of the results.</p> <p>The repository contains four main types of files:</p> <ol> <li><strong>Orca Inputs:</strong> These are utilized to compute properties of hole transporting materials associated to the power efficiency conversion of perovskite solar cells, such as reorganization energies, chemical reactivity parameters and transfer integrals.</li> <li><strong>DFTB+ Inputs:</strong> These files facilitate the optimization of molecular structures using the tight-binding method DFTB3-3ob-MBD.</li> <li><strong>Optimized Conformers: </strong> Each file contains a set of conformers (xyz format) obtained through the global optimization procedure conducted with CREST.</li> <li><strong>Python Script: </strong>This script calculates transfer integrals using the DIPRO method.</li> </ol> <p>Additionally, the repository includes r2scan-3c Orca gradient files (which encompass energy, gradient, and Cartesian coordinates in Bohr units), DFTB3-3ob-MBD optimized geometries, TD-DFT-M06/6-31G(d,p) Orca outputs, and properties files generated by Orca during the reorganization energy calculation step.</p> <p><strong>Requirements</strong></p> <p>To effectively utilize the contents of this repository, ensure you have the following:</p> <ul> <li>The latest release of Orca, which can be downloaded for free from the official site: https://orcaforum.kofo.mpg.de/</li> <li>Python, along with the cclib library, available at https://cclib.github.io. Ensure you have Python (version 3.7 or higher) and NumPy (version 1.15 or higher) installed.</li> <li>The latest releases of CREST and xtb, both accessible from the Grimme Lab GitHub page: https://github.com/grimme-lab</li> <li>The most recent version of DFTB+, which can be obtained from DFTB+ Official Site: https://dftbplus.org</li> </ul> <p>These requirements are necessary for replicating and utilizing the results and functionalities provided by the repository effectively.</p> <p><strong>Python script</strong></p> <p>The python code files extract the data from Orca file output and perform the matrix and vector products to calculate and display the transfer integral.</p> <p>The python script require three arguments: the momomer A and B and dimer orca output files:</p> <p> <em> python Jeff-hole.py A.out B.out dimer.out</em></p> <p><strong>Acknowledgments </strong></p> <p>Raul Flores acknowledges CONAHCYT for the postdoctoral fellowship (CVU: 365229). The authors gratefully acknowledge the computing time granted by LANCAD and CONAHCYT on the supercomputer Miztli at DGTIC UNAM.</p> <p> </p> <p> </p> <p> </p> <p> </p> <p> </p>
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.