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2,118 results for “Metal”
Computational Screening of Supported Metal Oxide Nanoclusters for Methane Activation: Insights into Homolytic versus Heterolytic C-H Bond Dissociation
<p>Optimized geometries (in XYZ format) of methane activation over supported [M<sub>1</sub>OM<sub>2</sub>]<sup>2+</sup> complexes where M<sub>1</sub>, M<sub>2</sub> = Cu, Zn, Ni, Co, Fe, and Mn. 'SM' in the file name stands for spin multiplicity. Calculations were performed using Gaussian 16 and M06-L functional. The def2-SVP basis set was used for C, O, H, whereas the def2-TZVP basis set was employed for all metal elements. </p>
Figure 13 in Metal-Age Maritime Culture at Jareng Bori Rockshelter, Pantar Island, Eastern Indonesia
Figure 13. Rim sherds illustrating the range of straight, incurving, and out-curving rims at Jareng Bori. With the exception of the incurving notched pie-crust lip (844), out-curving rims (Surface) with wide flat lips (824, 2691) and inverted rims (841, 828), the fragmentary nature of the assemblage prevents further identification of vessel forms.
Figure 14 in Metal-Age Maritime Culture at Jareng Bori Rockshelter, Pantar Island, Eastern Indonesia
Figure 14. Total number of lithic (chert and obsidian) artefacts by excavation unit (5 cm spit) at Jareng Bori.
Figure 10 in Metal-Age Maritime Culture at Jareng Bori Rockshelter, Pantar Island, Eastern Indonesia
Figure 10. Representative sherds for the decorative styles on pottery from Jareng Bori: Appliqué (1–2); Burnishing (3–5); Incising (6–10); Moulding (11); Moulding & Incising (12); Moulding-carving (13–15); Moulding-carving & Incising (16); Impressing (17–18); Punctation (19); Black-burnished (19–20); Black slipped (21–22); Grey slipped (23–24); Red slipped (25).
Figure 7 in Metal-Age Maritime Culture at Jareng Bori Rockshelter, Pantar Island, Eastern Indonesia
Figure 7. Cultural dental filing of the labial and occlusal surfaces of the upper first and second incisors recorded on the human burial at Jareng Bori (photo: Fayeza Shasliz Arumdhati).
Figure 2. Jareng Bori rockshelter, A in Metal-Age Maritime Culture at Jareng Bori Rockshelter, Pantar Island, Eastern Indonesia
Figure 2. Jareng Bori rockshelter, A: view from the beach facing west, B: the rockshelter facing east towards the beach, C: excavation site plan.
Figure 1 in Metal-Age Maritime Culture at Jareng Bori Rockshelter, Pantar Island, Eastern Indonesia
Figure 1. Location of Jareng Bori rockshelter, Pantar Island, eastern Indonesia in relation to recent sites excavated on nearby Alor.
Figure 4. Jareng Bori late historic burial c. 0–429 in Metal-Age Maritime Culture at Jareng Bori Rockshelter, Pantar Island, Eastern Indonesia
Figure 4. Jareng Bori late historic burial c. 0–429 cal. BP layers 4–5 (spits 6–9). Scale bar: 20 cm units.
Figure 8 in Metal-Age Maritime Culture at Jareng Bori Rockshelter, Pantar Island, Eastern Indonesia
Figure 8. Shell scrapers manufactured from (A–D) Asaphis violascens (spits 5, 8, 10 and 15); (E) Pitar sp. (spit 15); and (F) Cellana testudinaria (spit 16) from Jareng Bori.
Robust Data-driven Metallicities for 175 Million Stars from Gaia XP Spectra
<p>This is the dataset accompanying Andrae et al (2023), "Robust Data-driven Metallicities for 175 Million Stars from Gaia XP Spectra".</p> <p>Table 1 (174,922,161 rows) contains XGBoost parameters (temperature, surface gravity, and metallicity) for all stars in the sample. </p> <p>Table 2 (17,558,141 rows) contains Gaia DR3 parameters and XGBoost parameters for a vetted sample of RGB stars with reliable measurements. </p> <p>The tables are provided in compressed CSV and FITS format, and the full data model is described in the accompanying paper. </p>
Experimental dataset: C-SMART for reliable and efficient NN inference in a neutron-irradiated bare-metal system
<p>Will add more information soon.</p>
Methoxycyclization of 1,5-Enynes by Coinage Metal Catalysts: Is Gold Always Superior?
<p>Au(I) catalysts promote the intramolecular cycloisomerization of 1,<em>n</em>-enynes, as well as facilitate reactions with alcohols, characteristics that have led to their wide-spread in the synthesis of complex natural products. Literature reports of Cu and Ag species catalyzing the same or similar reactions are much less common. Here, we utilize molecular volcano plots to assess the activity of 45 coinage metal phosphine/phosphite catalysts possessing a variety of stereoelectronic properties for the methoxycyclization reaction of a prototypical 1,5-enyne. Our analysis reveals that the intrinsic properties of gold allow it to be coupled with a wide range of ligands, all of which exhibit high catalytic activity. On the other hand, the coupling of silver and copper with more traditional phosphines, such as triphenylphosphine, leads to catalysts with diminished catalytic ability. The activity of Ag and Cu species, however, can be enhanced by appending ligands with strong π-accepting character, which shifts these species closer to the volcano peak.</p>
(DATA) Möbius boron-nitride nanobelts interacting with heavy metal nanoclusters
<p>Molecular dynamics movies of systems BNNB+Cd1DL, BNNB+Ni1DZ, BNNB+Pb2D, MBNNB+Cd1DL, MBNNB+Ni2D and MBNNB+Pb2D.</p> <p>Spinning structures with the topological information for each system.</p> <p>Vibrational spectrum for optimized complexes.</p>
MetalResistance - Collection of metal resistance genes
<p><strong>MetalResistance database of genes providing resistance towards heavy metals</strong></p> <p>The sequences encoding the proteins in BacMet 1.1 (experimentally confirmed) were supplemented with a number of genes identified through screening of research articles using search terms. For more details, see the methods section of the study:</p> <p><strong>ARGfinder - a pipeline for large-scale analysis of antimicrobial resistance genes and their flanking regions in metagenomic datasets</strong></p> <p>This collection of metal resistance genes were used in the construction of the <a href="https://doi.org/10.5281/zenodo.8055115">PanRes database</a></p>
(VIDEOS) Möbius carbon nanobelts interacting with heavy metal nanoclusters
<p>Molecular dynamics movies of systems CNB+Cd1DL, CNB+Ni2D, CNB+Pb2D, MCNB+Cd1DL, MCNB+Ni2D and MCNB+Pb2D at 298K, 1000K and 1500K.</p> <p>Spinning structures with the topological information for each system.</p>
Catalog of Sagittarius Stream Stars with Gaia BP/RP Metallicities
<p>This catalog contains 34,240 stars selected as high probability Sagittarius stream members (selected in Vasiliev et al. 2021) with reported metallicities inferred from Gaia BP/RP spectra (measured in Andrae et al. 2023), as well as their Sagittarius/disk/outlier membership probabilities under the model described in Cunningham et al. (2023).</p>
Accessible Chemical Space for Metal Nitride Perovskites
<p>Supporting data to manuscript "Accessible Chemical Space for Metal Nitride Perovskites"</p> <p>The folders contain respectively:</p> <ul> <li>25_Candidates_HSE06: The structures of the 25 candidates presented in the manuscript and relaxed with HSE06</li> <li>Competing_phases: The structures of the 86 competing phases considered for thermodynamic stability and relaxed with HSE06</li> <li>Json_summaries: Json files containing all the relevant information. This includes structures and energies for: <ul> <li>the 279 candidates in 15 possible tilts</li> <li>the lowest energy tilted structure for all 279 candidates</li> <li>the intermediate structures found during the phonon mapping process</li> <li>the ten lowest energy structures for each of the 25 candidates obtained with AIRSS</li> <li>the summary of all lowest-energy structures identified in both workflows</li> <li>the materials already reported in literature and recomputed in this work</li> <li>the energy above the hull for all considered structures calculated with HSE06 and PBEsol</li> </ul> </li> <li>Switching_paths: The structures along the switching path and the Born effective charges of the material calculated in the initial configuration</li> </ul>
Data for First-Order Quantum Phase Transition in the Hybrid Metal-Mott Insulator Transition Metal Dichalcogenide 4Hb-TaS2
<p>Data to reproduce the main text figures of the paper "First-Order Quantum Phase Transition in the Hybrid<br> Metal-Mott Insulator Transition Metal Dichalcogenide 4Hb-TaS2" are provided. They are either in the *.txt format or *.fig (matlab figure) format. The *.txt files contain the relevant header information.</p>
Alkali metal cations modulate the geometry of different binding sites in HCN4 selectivity filter for permeation or block
<p>Dataset underlying findings published in:<br> "Alkali metal cations modulate the geometry of different binding sites in HCN4 selectivity filter for permeation or block"</p>
Dataset for "An air-stable Cu(I) metal-organic framework for hydrogen storage"
<p>Dataset for "An air-stable Cu(I) metal-organic framework for hydrogen storage"</p> <p>Raw data set of the electronic structure calculations and inputs for the GCMC calculations relating to above publication.</p>
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Allen Brain Atlas
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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.