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heat of hydrogenation for diverse organic compounds -- experimental and calculated data for 166 unique reactions
<h3>General remarks</h3> <p>The experimental data was drawn from reactions involving H2 that are available at <a href="https://webbook.nist.gov/cgi/cbook.cgi?Name=H2&Units=SI&cTR=on" target="_blank" rel="noopener">NIST</a> (accessed on 15/03/2024). Only reactions of type<strong><em> M + H2 => MH2</em></strong>, where M is a neutral, closed-shell organic molecule that accepts one equivalent of H2, were included in the collection. M corresponds to the oxidized form of the molecule ( => suffix '_ox'), MH2 to the reduced form (=> suffix '_red'). For reasons of clarity, the references to original publications were abbreviated in the main table (look up in separate table).</p> <p>For the molecules involved, Smiles were manually assigned. From those, 3D structures were generated and evaluated in order to match the thermodynamic properties as accurately as possible (for details on the procedure refer to the related work, see below).</p> <p>In addition to the experimental uncertainty, a significant scatter is seen for replicate measurements.</p> <p><strong>Please note</strong>: To compute the heat of hydrogenation from the calculated data for M/MH2 the contribution of H2 needs to be considered, take e.g. -1.164816 hartree (Energy at 298.15K, calculated at CCSD(T)=FULL/aug-cc-pVDZ) from <a href="https://cccbdb.nist.gov/energy3x.asp?method=63&basis=17&charge=0" target="_blank" rel="noopener">CCCBDB</a> (accessed on 15/03/2024).</p> <h3> </h3> <h3>Description of files</h3> <p>The file <strong>01_heat_of_hydrogenation_XP+QM.csv</strong> contains experimentally measured and calculated data.</p> <ul> <li>columns are separated by "|"</li> <li>column names and explanations: <ul> <li><strong>NIST_idx</strong> -- index of original reaction, mostly unique. In a few cases, data of the reverse reaction were subsumed under a different index</li> <li><strong>env</strong> -- if available, information about the environment a reported reaction took place in, e.g. gas phase, hexane, etc...</li> <li><strong>method</strong> -- if available, reference about the experimental technique, e.g. 'Eqk' = Heat of equilibrium, 'Cm' = Calorimetry, 'Chyd' = Calorimetry of hydrogenation</li> <li><strong>Temperature K</strong> -- if available, reported values </li> <li><strong>reference</strong> -- Abbreviation of reference to original publication</li> <li><strong>experimental heat of reaction kJ/mol</strong> -- measured value as reported by experimentalists</li> <li><strong>experimental uncertainty </strong>-- if available, uncertainty of measurement reported by experimentalists</li> <li><strong>comments</strong> -- notes relating to identification of compounds</li> <li><strong>SMILES_ox</strong> -- isomeric canonical SMILES for oxidized form M</li> <li><strong>InChI_ox</strong> -- InChI for oxidized form M </li> <li><strong>SMILES_red</strong> -- isomeric canonical SMILES for reduced form M</li> <li><strong>InChI_red </strong>-- InChI for reduced form M</li> <li><strong>reaction_index </strong>-- consequtively numbered for identical pairs (SMILES_ox, SMILES_red)<strong><br></strong></li> <li>the calculated properties are given for the oxidized and reduced form of the molecule (in hartree) <ul> <li><strong>E(B3LYP/6-31G(2df,p))</strong></li> <li><strong>E_thermal</strong></li> <li><strong>E(G4(MP2))@0K</strong></li> <li><strong>E(G4(MP2))@298K</strong></li> <li><strong>H(G4(MP2))</strong></li> <li><strong>heat_of_formation@0K</strong></li> <li><strong>heat_of_formation@298K</strong></li> </ul> </li> </ul> </li> </ul> <p><strong>02_molecules.sdf:</strong> provides for each molecule a low-energy geometry along with some descriptors and calculated energetic properties:</p> <blockquote> <ul> <li>coordinate block + bond information</li> <li>properties <ul> <li><strong>SMILES</strong> -- isomeric canonical smiles linking compound to reactions defined in 01_heat_of_hydrogenation_XP+QM.csv</li> <li><strong>radical_electrons</strong> -- number of unpaired electrons as determined by RDKit</li> <li><strong>empirical_formula</strong> -- elemental composition of molecule</li> <li><strong>molecular_weight</strong> -- as determined by RDKit in g/mol</li> <li><strong>TPSA </strong>-- topological polar surface area (<em>TPSA</em>) as determined by RDKit</li> <li><strong>logP </strong>-- octanol/water partition coefficient as predicted by RDKit</li> <li><strong>nof_heavy_atoms --</strong> number of non-hydrogen atoms in molecule</li> <li><strong>degree_of_unsaturation</strong> -- sum of multiplebonds and/or rings present in the compound</li> <li><strong>rings</strong> -- number of rings in the compound as determined by RDKit</li> <li><strong>multiplicity</strong> -- spin multiplicity for use as input for QM calculations</li> <li><strong>nof_multiple_bonds</strong> -- number of multiple bonds as determined by RDKit</li> <li><strong>Std_InChI</strong> -- standard InChi</li> <li><strong>FixedH_InChI</strong> -- variant of InChI to differentiate tautomers</li> <li><strong>tag </strong>-- dataset label</li> <li><strong>total_atoms </strong>-- total number of atoms (including H)</li> <li><strong>net_charge</strong> -- total charge of molecule in units of elementary charge</li> <li> <p>energetic properties (in hartree) </p> <ul> <li> <p><code>E(B3LYP/6-31G(2df,p))</code></p> </li> <li> <p><code>E</code><code>(HF/maug-cc-p(T+d)Z) </code></p> </li> <li> <p><code>E(HF/CBS)</code></p> </li> <li> <p><code>E(HF/maug-cc-p(Q+d)Z) </code></p> </li> <li> <p><code>E(MP2/6-31G(d))</code></p> </li> <li> <p><code>E(CCSD(T)/6-31G(d))</code></p> </li> <li> <p><code>E(HF/G3MP2LARGEXP) </code></p> </li> <li> <p><code>E(MP2/G3MP2LARGEXP)</code></p> </li> <li> <p><code>DE(MP2) hartreeDE(HF)</code></p> </li> <li> <p><code>ZPE(B3LYP) hartree</code></p> </li> <li> <p><code>ZPE_scale_factor hartree</code></p> </li> <li> <p><code>E(HLC) hartree</code></p> </li> <li> <p><code>E_thermal hartree</code></p> </li> <li> <p><code>H_thermal hartree</code></p> </li> <li> <p><code>E(G4(MP2))@0K hartree</code></p> </li> <li> <p><code>E(G4(MP2))@298K hartree</code></p> </li> <li> <p><code>H(G4(MP2)) hartree</code></p> </li> <li> <p><code>heat_of_formation@0K kcal/mol</code></p> </li> <li> <p><code>heat_of_formation@298K kcal/mol</code></p> </li> </ul> </li> </ul> </li> </ul> </blockquote> <p><strong>03_references.csv</strong> (separated by "|") lists abbreviations and corresponding full reference to original publication of individual data points.</p>
Sion 1760 - Building 166 (LoD-1)
<u>Coordinates</u>: N/A <br><u>Length</u>: 6.13 m<br><u>Width</u>: 4.61 m<br><u>Height</u>: 4.1 m<br><u>Vertices</u>: 24 <br><u>Primitives</u>: 12 <br><br> The Length, Width, Height, Vertices and Primitives listed above have been derived directly from the OBJ file.<br><br><u>Main Files:</u><br><table><tbody><tr><th>Filename</th><th>.glb</th><th>.xml</th><th>.mtl</th><th>.obj</th></tr><tr><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002.obj/content">0___LoD1__id-166_002.obj</a></td><td></td><td></td><td></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002.obj/content">Link</a></td></tr><tr><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002.mtl/content">0___LoD1__id-166_002.mtl</a></td><td></td><td></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002.mtl/content">Link</a></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002.glb/content">0___LoD1__id-166_002.glb</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002.glb/content">Link</a></td><td></td><td></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12671666/files/11252234_edm.xml/content">11252234_edm.xml</a></td><td></td><td><a href="https://zenodo.org/api/records/12671666/files/11252234_edm.xml/content">Link</a></td><td></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12671666/files/11252234_metsmods.xml/content">11252234_metsmods.xml</a></td><td></td><td><a href="https://zenodo.org/api/records/12671666/files/11252234_metsmods.xml/content">Link</a></td><td></td><td></td></tr></tbody></table><br><br><u>Thumbnails:</u><br><table><tbody><tr><th>Perspective</th><th>1000x1000</th><th>512x512</th><th>256x256</th><th>128x128</th></tr><tr><td>Perspective 1</td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_1.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_1_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_1_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_1_128x128.png/content">Link</a></td></tr><tr><td>Perspective 2</td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_2.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_2_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_2_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_2_128x128.png/content">Link</a></td></tr><tr><td>Perspective 3</td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_3.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_3_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_3_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_3_128x128.png/content">Link</a></td></tr><tr><td>Perspective 4</td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_4.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_4_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_4_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_4_128x128.png/content">Link</a></td></tr><tr><td>Perspective Top</td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_top.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_top_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_top_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12671666/files/0___LoD1__id-166_002_perspective_top_128x128.png/content">Link</a></td></tr></tbody></table><br><br><br><u>Changelog</u>: <br> - v<a href="https://doi.org/10.5281/zenodo.11493217">0.0.2</a>: Thumbnails added, Description updated with Link Tables.<br> - v<a href="https://doi.org/10.5281/zenodo.12671666">0.0.3</a>: Added XMLs for Europeana Data Model (EDM) and MetsMods.<br>
Trento 1936 - Building 166
<u>Coordinates</u>: N/A <br><u>Length</u>: 23.89 m<br><u>Width</u>: 15.32 m<br><u>Height</u>: 27.3 m<br><u>Points</u>: 14 <br><u>Vertices</u>: 72 <br><u>Primitives</u>: 24 <br><br><u>Main Files:</u><br><table><tbody><tr><th>Filename</th><th>.glb</th><th>.xml</th><th>.obj</th></tr><tr><td><a href="https://zenodo.org/api/records/12693825/files/building_166.glb/content">building_166.glb</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166.glb/content">Link</a></td><td></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12693825/files/building_166.obj/content">building_166.obj</a></td><td></td><td></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166.obj/content">Link</a></td></tr><tr><td><a href="https://zenodo.org/api/records/12693825/files/11579483_metsmods.xml/content">11579483_metsmods.xml</a></td><td></td><td><a href="https://zenodo.org/api/records/12693825/files/11579483_metsmods.xml/content">Link</a></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12693825/files/11579483_edm.xml/content">11579483_edm.xml</a></td><td></td><td><a href="https://zenodo.org/api/records/12693825/files/11579483_edm.xml/content">Link</a></td><td></td></tr></tbody></table><br><br><u>Thumbnails:</u><br><table><tbody><tr><th>Perspective</th><th>1000x1000</th><th>512x512</th><th>256x256</th><th>128x128</th></tr><tr><td>Perspective 1</td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_1.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_1_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_1_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_1_128x128.png/content">Link</a></td></tr><tr><td>Perspective 2</td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_2.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_2_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_2_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_2_128x128.png/content">Link</a></td></tr><tr><td>Perspective 3</td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_3.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_3_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_3_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_3_128x128.png/content">Link</a></td></tr><tr><td>Perspective 4</td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_4.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_4_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_4_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_4_128x128.png/content">Link</a></td></tr><tr><td>Perspective Top</td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_top.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_top_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_top_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693825/files/building_166_perspective_top_128x128.png/content">Link</a></td></tr></tbody></table><br><br><br><u>Changelog</u>: <br> - v<a href="https://doi.org/10.5281/zenodo.12551115">0.0.2</a>: Thumbnails added, Description updated with Link Tables.<br> - v<a href="https://doi.org/10.5281/zenodo.12693825">0.0.3</a>: Added XMLs for Europeana Data Model (EDM) and MetsMods.<br>
Trento 1886 - Building 166
<u>Coordinates</u>: N/A <br><u>Length</u>: 14.28 m<br><u>Width</u>: 10.06 m<br><u>Height</u>: 6.31 m<br><u>Points</u>: 20 <br><u>Vertices</u>: 96 <br><u>Primitives</u>: 32 <br><br><u>Main Files:</u><br><table><tbody><tr><th>Filename</th><th>.glb</th><th>.xml</th><th>.obj</th></tr><tr><td><a href="https://zenodo.org/api/records/12693361/files/building_166.obj/content">building_166.obj</a></td><td></td><td></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166.obj/content">Link</a></td></tr><tr><td><a href="https://zenodo.org/api/records/12693361/files/building_166.glb/content">building_166.glb</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166.glb/content">Link</a></td><td></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12693361/files/11567570_edm.xml/content">11567570_edm.xml</a></td><td></td><td><a href="https://zenodo.org/api/records/12693361/files/11567570_edm.xml/content">Link</a></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12693361/files/11567570_metsmods.xml/content">11567570_metsmods.xml</a></td><td></td><td><a href="https://zenodo.org/api/records/12693361/files/11567570_metsmods.xml/content">Link</a></td><td></td></tr></tbody></table><br><br><u>Thumbnails:</u><br><table><tbody><tr><th>Perspective</th><th>1000x1000</th><th>512x512</th><th>256x256</th><th>128x128</th></tr><tr><td>Perspective 1</td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_1.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_1_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_1_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_1_128x128.png/content">Link</a></td></tr><tr><td>Perspective 2</td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_2.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_2_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_2_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_2_128x128.png/content">Link</a></td></tr><tr><td>Perspective 3</td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_3.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_3_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_3_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_3_128x128.png/content">Link</a></td></tr><tr><td>Perspective 4</td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_4.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_4_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_4_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_4_128x128.png/content">Link</a></td></tr><tr><td>Perspective Top</td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_top.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_top_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_top_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693361/files/building_166_perspective_top_128x128.png/content">Link</a></td></tr></tbody></table><br><br><br><u>Changelog</u>: <br> - v<a href="https://doi.org/10.5281/zenodo.12536176">0.0.2</a>: Thumbnails added, Description updated with Link Tables.<br> - v<a href="https://doi.org/10.5281/zenodo.12693361">0.0.3</a>: Added XMLs for Europeana Data Model (EDM) and MetsMods.<br>
Trento 1851 - Building 166
<u>Coordinates</u>: N/A <br><u>Length</u>: 29.01 m<br><u>Width</u>: 16.16 m<br><u>Height</u>: 32.16 m<br><u>Points</u>: 26 <br><u>Vertices</u>: 144 <br><u>Primitives</u>: 48 <br><br><u>Main Files:</u><br><table><tbody><tr><th>Filename</th><th>.glb</th><th>.xml</th><th>.obj</th></tr><tr><td><a href="https://zenodo.org/api/records/12693225/files/building_166.glb/content">building_166.glb</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166.glb/content">Link</a></td><td></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12693225/files/building_166.obj/content">building_166.obj</a></td><td></td><td></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166.obj/content">Link</a></td></tr><tr><td><a href="https://zenodo.org/api/records/12693225/files/11565475_metsmods.xml/content">11565475_metsmods.xml</a></td><td></td><td><a href="https://zenodo.org/api/records/12693225/files/11565475_metsmods.xml/content">Link</a></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12693225/files/11565475_edm.xml/content">11565475_edm.xml</a></td><td></td><td><a href="https://zenodo.org/api/records/12693225/files/11565475_edm.xml/content">Link</a></td><td></td></tr></tbody></table><br><br><u>Thumbnails:</u><br><table><tbody><tr><th>Perspective</th><th>1000x1000</th><th>512x512</th><th>256x256</th><th>128x128</th></tr><tr><td>Perspective 1</td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_1.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_1_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_1_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_1_128x128.png/content">Link</a></td></tr><tr><td>Perspective 2</td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_2.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_2_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_2_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_2_128x128.png/content">Link</a></td></tr><tr><td>Perspective 3</td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_3.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_3_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_3_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_3_128x128.png/content">Link</a></td></tr><tr><td>Perspective 4</td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_4.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_4_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_4_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_4_128x128.png/content">Link</a></td></tr><tr><td>Perspective Top</td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_top.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_top_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_top_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12693225/files/building_166_perspective_top_128x128.png/content">Link</a></td></tr></tbody></table><br><br><br><u>Changelog</u>: <br> - v<a href="https://doi.org/10.5281/zenodo.12533153">0.0.2</a>: Thumbnails added, Description updated with Link Tables.<br> - v<a href="https://doi.org/10.5281/zenodo.12693225">0.0.3</a>: Added XMLs for Europeana Data Model (EDM) and MetsMods.<br>
Trento 1911 - Building 166
<u>Coordinates</u>: N/A <br><u>Length</u>: 6.66 m<br><u>Width</u>: 6.06 m<br><u>Height</u>: 9.66 m<br><u>Points</u>: 8 <br><u>Vertices</u>: 36 <br><u>Primitives</u>: 12 <br><br><u>Main Files:</u><br><table><tbody><tr><th>Filename</th><th>.glb</th><th>.xml</th><th>.obj</th></tr><tr><td><a href="https://zenodo.org/api/records/12691749/files/building_166.obj/content">building_166.obj</a></td><td></td><td></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166.obj/content">Link</a></td></tr><tr><td><a href="https://zenodo.org/api/records/12691749/files/building_166.glb/content">building_166.glb</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166.glb/content">Link</a></td><td></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12691749/files/11571537_metsmods.xml/content">11571537_metsmods.xml</a></td><td></td><td><a href="https://zenodo.org/api/records/12691749/files/11571537_metsmods.xml/content">Link</a></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12691749/files/11571537_edm.xml/content">11571537_edm.xml</a></td><td></td><td><a href="https://zenodo.org/api/records/12691749/files/11571537_edm.xml/content">Link</a></td><td></td></tr></tbody></table><br><br><u>Thumbnails:</u><br><table><tbody><tr><th>Perspective</th><th>1000x1000</th><th>512x512</th><th>256x256</th><th>128x128</th></tr><tr><td>Perspective 1</td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_1.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_1_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_1_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_1_128x128.png/content">Link</a></td></tr><tr><td>Perspective 2</td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_2.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_2_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_2_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_2_128x128.png/content">Link</a></td></tr><tr><td>Perspective 3</td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_3.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_3_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_3_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_3_128x128.png/content">Link</a></td></tr><tr><td>Perspective 4</td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_4.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_4_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_4_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_4_128x128.png/content">Link</a></td></tr><tr><td>Perspective Top</td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_top.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_top_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_top_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691749/files/building_166_perspective_top_128x128.png/content">Link</a></td></tr></tbody></table><br><br><br><u>Changelog</u>: <br> - v<a href="https://doi.org/10.5281/zenodo.12539695">0.0.2</a>: Thumbnails added, Description updated with Link Tables.<br> - v<a href="https://doi.org/10.5281/zenodo.12691749">0.0.3</a>: Added XMLs for Europeana Data Model (EDM) and MetsMods.<br>
Sion 1840 - Building 166 (LoD-1)
<u>Coordinates</u>: N/A <br><u>Length</u>: 4.11 m<br><u>Width</u>: 9.66 m<br><u>Height</u>: 4.1 m<br><u>Vertices</u>: 24 <br><u>Primitives</u>: 12 <br><br> The Length, Width, Height, Vertices and Primitives listed above have been derived directly from the OBJ file.<br><br><u>Main Files:</u><br><table><tbody><tr><th>Filename</th><th>.mtl</th><th>.glb</th><th>.xml</th><th>.obj</th></tr><tr><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001.mtl/content">0___LoD1__id-166_001.mtl</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001.mtl/content">Link</a></td><td></td><td></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001.obj/content">0___LoD1__id-166_001.obj</a></td><td></td><td></td><td></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001.obj/content">Link</a></td></tr><tr><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001.glb/content">0___LoD1__id-166_001.glb</a></td><td></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001.glb/content">Link</a></td><td></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12691045/files/11249064_edm.xml/content">11249064_edm.xml</a></td><td></td><td></td><td><a href="https://zenodo.org/api/records/12691045/files/11249064_edm.xml/content">Link</a></td><td></td></tr><tr><td><a href="https://zenodo.org/api/records/12691045/files/11249064_metsmods.xml/content">11249064_metsmods.xml</a></td><td></td><td></td><td><a href="https://zenodo.org/api/records/12691045/files/11249064_metsmods.xml/content">Link</a></td><td></td></tr></tbody></table><br><br><u>Thumbnails:</u><br><table><tbody><tr><th>Perspective</th><th>1000x1000</th><th>512x512</th><th>256x256</th><th>128x128</th></tr><tr><td>Perspective 1</td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_1.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_1_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_1_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_1_128x128.png/content">Link</a></td></tr><tr><td>Perspective 2</td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_2.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_2_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_2_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_2_128x128.png/content">Link</a></td></tr><tr><td>Perspective 3</td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_3.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_3_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_3_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_3_128x128.png/content">Link</a></td></tr><tr><td>Perspective 4</td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_4.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_4_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_4_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_4_128x128.png/content">Link</a></td></tr><tr><td>Perspective Top</td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_top.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_top_512x512.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_top_256x256.png/content">Link</a></td><td><a href="https://zenodo.org/api/records/12691045/files/0___LoD1__id-166_001_perspective_top_128x128.png/content">Link</a></td></tr></tbody></table><br><br><br><u>Changelog</u>: <br> - v<a href="https://doi.org/10.5281/zenodo.11485716">0.0.2</a>: Thumbnails added, Description updated with Link Tables.<br> - v<a href="https://doi.org/10.5281/zenodo.12691045">0.0.3</a>: Added XMLs for Europeana Data Model (EDM) and MetsMods.<br>
Figs 166–171. Coryssocnemis Simon, 1893 in On Venezuelan pholcid spiders (Araneae, Pholcidae)
Figs 166–171. Coryssocnemis Simon, 1893; epigyna, ventral views, and cleared female genitalia, ventral and dorsal views. 166–168. C. guacharo Huber sp. nov.; from Monagas, near Cueva del Guácharo (type locality; ZFMK Ar 21853). 169–171. C. monagas Huber, 2000; from Sucre, "Playa Puipui y Playa Medina" (ZFMK Ar 21855).
Fig. 166 in Epimeria of the Southern Ocean with notes on their relatives (Crustacea, Amphipoda, Eusiroidea)
Fig. 166. Epimeria (Hoplepimeria) inermis subgen. nov. Walker, 1903, colour in life. A. ♀, Elephant Island, ANT-XXIII/8, stn 654-7, RBINS, INV. 122514 (photograph: C. d'Udekem d'Acoz). B. ♀, Bransfield Strait, ANT-XXIX/3, stn 224-3, INV. 122945A (photograph: C. d'Udekem d'Acoz). C. Presumably ♀, eastern Weddell Sea, ANT-XXIV/2, stn 48-1, RBINS, INV. 132954 or 122897 or 122905 or 132459 (photograph: T. Riehl, University of Hamburg). D. Sex unrecorded, Adélie Coast, CEAMARC V3 1034, (specimen not examined). photograph: Frédéric Busson (MNHN).
Figs. 157–166 in The Andean Goblin Spiders Of The New Genera Niarchos And Scaphios (Araneae, Oonopidae)
Figs. 157–166. Niarchos tapiai, new species, female. 157. Habitus, dorsal view. 158. Same, ventral view. 159. Carapace, dorsal view. 160. Sternum and mouthparts, ventral view. 161. Habitus, lateral view. 162. Same, anterior view. 163. Carapace, lateral view. 164. Epigastric region, ventral view. 165. Genitalia, ventral view. 166. Same, dorsal view.
Figures 162–166 in On some silverfish taxa from the Cape York region of northern Australia (Zygentoma: Lepismatidae: Ctenolepismatinae)
Figures 162–166. Acrotelsella septentrionalis sp. nov. holotype ♀ (162) pronotum, left half; (163) mesonotum, left side; (164) metanotum, left side; (165) prothoracic presternum and sternum; (166) PI. Scale bars = 0.1 mm.
FIGURE 166 in Taxonomic Revision of the Spider Genus Actinopus Perty, 1833 (Araneae, Mygalomorphae, Actinopodidae)
FIGURE 166. Actinopus reznori sp. nov., male: A–F IBSP 9992: A. Abdomen, dorsal; B. Carapace, dorsal; C. Sternum, ventral; D. Cheliceral teeth, ventral; E. Rastellum, dorsal; F. Rastellum, ventral.
Figs. 159–170. Noideattella tsiba, new species. 159. Cephalothorax male, lateral view. 160. Same, dorsal view. 161. Infracoxal grooves male, ventral view. 162. Cephalothorax male, lateral view. 163. Embolus, prolateral view. 164. Same, retrolateral. 165. Palp male, ventral view. 166. Palp female tarsal claw area, apical view. 167. Tarsal organ palp female, dorsal view. 168. Tibia 4 female, prolateral view. 169. Pedicel area male, dorsal view. 170 in Noideattella and Tolegnaro, Two New Genera of Goblin Spiders from Madagascar, with Comments on the Gamasomorphoid and Silhouettelloid Oonopids (Araneae, Oonopidae)
Figs. 159–170. Noideattella tsiba, new species. 159. Cephalothorax male, lateral view. 160. Same, dorsal view. 161. Infracoxal grooves male, ventral view. 162. Cephalothorax male, lateral view. 163. Embolus, prolateral view. 164. Same, retrolateral. 165. Palp male, ventral view. 166. Palp female tarsal claw area, apical view. 167. Tarsal organ palp female, dorsal view. 168. Tibia 4 female, prolateral view. 169. Pedicel area male, dorsal view. 170. Abdomen seta male, dorsal view. Scale bars = 50 µm, except 163–164, 166, 167, 170: 10 µm.
FIGURE 166 in Grenadiers (Teleostei: Gadiformes: Macrouridae) of Japan and adjacent waters, a taxonomic monograph
FIGURE 166. Holotype of Nezumia kamoharai. BSKU 14202, 62.4 mm HL, 350+ mm TL, Sagami Bay, Pacific. (A) Lateral view; (B) dorsal and (C) ventral views of the head and trunk. Preserved condition. [Photos: N. Nakayama]
Figures 165–166 in The genera Butheolus Simon, 1882 and Xenobuthus gen. nov. (Scorpiones: Buthidae) in Oman
Figures 165–166: Prosoma and mesosoma of male Butheolus thalassinus Simon, 1882. Fig. 165. Dorsal aspect, carapace and tergites. Fig. 166. Ventral aspect, coxosternal area and sternites. Same male as in Figs. 163–164. Scale bar: 1 mm.
Figures 166–171 in Scorpions of Sri Lanka (Scorpiones Buthidae, Chaerilidae, Scorpionidae) with description of four new species of the genera Charmus Karsch, 1879 and Reddyanus Vachon, 1972, stat n
Figures 166–171: Lychas srilankensis from locality 15CJ. Figures 166–168. Male, metasoma and telson, lateral (166), ventral (167), and dorsal (168) views. Figures 169–171. Female, metasoma and telson, lateral (169), ventral (170), and dorsal (171) views.
Figures 166–187 in A revision of the genus Mesobuthus Vachon 1950 with a description of 14 new species (Scorpiones Buthidae)
Figures 166–187: Mesobuthus crucittii sp. n., pedipalp. Figures 166–176. Male holotype, chela, dorsal (166), external (167), and ventral (168) views. Patella, dorsal (169), external (170) and ventral (171) views. Femur and trochanter, internal (172), dorsal (173), and ventral (174) views. Movable (175) and fixed (176) fingers. Figures 177–187. Female paratopotype, chela, dorsal (177), external (178), and ventral (179) views. Patella, dorsal (180), external (181) and ventral (182) views. Femur and trochanter, internal (183), dorsal (184), and ventral (185) views. Movable (186) and fixed (187) fingers. The trichobothrial pattern is indicated in Figures 166–170, 172–173.
Figures 166–188 in Review of Orthochiroides Kovařík 1998 with description of a new species (Scorpiones: Buthidae)
Figures 166–188: Ventral profiles of metasoma and telson of female Orthochiroides and Orthochirus. Figures 166–167. Orthochiroides insularis (166), O. somalilandus (167). Figures 168–188. Orthochirus afar (168), O. birulai (169), O. carinatus (170), O. fomichevi (171), O. formozovi (172), O. grosseri (173), O. gruberi (174), O. hormozgonensis (175), O. iranus (176), O. kermanensis (177), O. kucerai (178), O. masihipouri (179), O. melanurus (180), O. mesopotamicus (181), O. navidpouri (182), O. nordmanni (183), O. olivaceus (184), O. persa (185), O. scrobiculosus (186), O. sejnai (187), O. vignolii (188). Colored arrows: character 29, antero-lateral corners of metasoma IV (green = flush, 0; blue = wedge-shaped, 1); character 32, widening of metasoma III near posterior margin (orange = graded, 0; red = abrupt, 1). Figs. 168–188 after: Kovařík et al., 2016, 2019b, 2020a, 2020b; Kovařík & Navidpour, 2020; Navidpour et al., 2019.
Figs 161–166 in New leaf- and litter-dwelling species of the genus Pholcus from Southeast Asia (Araneae, Pholcidae)
Figs 161–166. Epigyna, ventral views, and cleared female genitalia, ventral and dorsal views. 161–163. Pholcus domingo Huber sp. nov. (ZFMK, Ar 15721). 164–166. P. matutum Huber sp. nov. (ZFMK, Ar 15731).
Figure 4: Nyquist diagrams ² 00 (!¿¾) = f(² 0 (!¿¾))T 166-TOWARD THE PHYSICAL BASIS OF COMPLEX SYSTEMS: DIELECTRIC ANALYSIS OF POROUS SILICON NANOCHANNELS IN THE ELECTRICAL DOUBLE LAYER LENGTH RANGE
<p>Fig.4. This behaviour denotes that the EDL is not an ideally<br> capacitor, but also is not a disipative region, depending both on the EDL<br> thickness and the frequency range of the applied ¯eld [7]. The composition<br> (by thickness) of the EDL determines essentially the dielectric response of the<br> interface system. Compared with experimental results, the dielectric pro¯le<br> of this higher length scales model, can provides a more complet description of<br> the solvent properties for a given electrode.</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.