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1,154 results for “111”
Figs. 111 in A taxonomic revision of the Palaearctic members of the subgenus Lasius s.str. (Hymenoptera, Formicidae)
Figs. 111: NC-clustering of 51 nest samples of Lasius precursor sp. nov. (black bars) and 77 nest samples of L. turcicus (grey bars) from the East Aegean and Asia Minor. The hierarchical algorithms, NC-Ward (tree shown) and NC-part.hclust, showed a classification error of 4.7% whereas the non-hierarchical algorythms, NC-part.kmeans and NC-NMDS-k.means (not shown), misclassified only 0.8% of the samples giving an overall mean error of 2.8%. Outliers in NC-part.hclust are indicated by white bars (gaps).
Figures 111–112 in Revision of the genus Olivierus in Xinjiang, China, with comments on Mesobuthus thersites (Scorpiones: Buthidae)
Figures 111–112. Size comparison between two adult males of O. przewalskii from Makit. The hemispermatophore was retrieved from the smaller male, verifying the pronounced lobe as a credible indicator for sexual maturity in males of this species. Scale bar = 10 mm (Fig. 111).
Figures 111–121 in Scorpions of the Horn of Africa (Arachnida: Scorpiones). Part XXX. Parabuthus (Buthidae) (Part III), with description of three new species from Somaliland and occurrence of Parabuthus eritreaensis Kovařík, 2003
Figures 111–121. Parabuthus quincyae sp. n., male holotype. Right pedipalp, chela in dorsal (111), external (112), and ventral (113) views, patella in dorsal (114), external (115), and ventral (116) views, femur and trochanter in internal (117), dorsal (118), and ventral (119) views. Dentate margins of movable (120) and fixed (121) fingers. Trichobothrial pattern indicated in Figures 111–115 and 117–118 by white circles.
FIGURE 111 in Taxonomic Revision of the Spider Genus Actinopus Perty, 1833 (Araneae, Mygalomorphae, Actinopodidae)
FIGURE 111. Actinopus dubiomaculatus Mello-Leit"o, 1923, female: A–D MCN 13243: A. Patella III, dorsal; B. Tibia III, dorsal; C. Patella IV, dorsal; D. Tibia IV, dorsal. Scales lines A–C: 0.5 mm.
Figs 100–111. 100–106 in Braconidae (Hymenoptera) From Korea Xxii. Subfamily Alysiinae
Figs 100–111. 100–106. Dacnusa (Pachysema) reno sp. n.: 100 = head in dorsal view, 101 = head in lateral view, 102 = mandible, 103 = hind femur, 104 = distal part of right fore wing, 105 = first subdiscal cell of right fore wing, 106 = tergites 1–3 with indication of the sculpture of first tergite. – 107–109. Dacnusa (Pachysema) laeta Nixon: 107 = first tergite with indication of its sculpture, 108 = mandible, 109 = distal part of right fore wing. – 110–111. Dacnusa (Pachysema) faeroeensis (RO- MAN): = head in dorsal view, 111 = distal part of right fore wing
Figures 108–111 in Four new lithophilic species of Scorpiops Peters 1861 (Scorpiones Scorpiopidae) from peninsular India
Figures 108–111: Scorpiops lioneli sp. n. Figures 108–109. Male, holotype, carapace under white light (108) and UV fluorescence (109). Figures 110–111. Female, paratype, BHNS SC 264, carapace under white light (110) and UV fluorescence (111).
Figures 111–115 in Somalibuthus sabae sp. n., a new buthid scorpion from Kenya (Scorpiones: Buthidae)
Figures 111–115: Lanzatus somalilandus Kovařík, Lowe & Šťáhlavský, 2016, right hemispermatophore. Figures 111–113. Capsule in posterior (111), convex (112) and anterior (113) views. Figure 114. Capsule in convex view, compressed to show form of sperm hemiduct lobes. Figure 115. Whole hemispermatophore, convex view. Scale bars: 200 μm (111–113), 500 μm (115).
Figg. 111-126 in Biodiversità delle Aleocharinae della Cina: Il Genere Oxypoda (Coleoptera, Staphylinidae)
Figg. 111-126: Edeago in visione laterale e ventrale e spermateca. 111-113. Oxypoda (Sphenoma) nanwutaiensis n. sp.; 114-115. Oxypoda (Sphenoma) erlangensis n. sp.; 116. Oxypoda (Sphenoma) dabamontis n. sp.; 117-118. Oxypoda (Sphenoma) liao n. sp.; 119. Oxypoda (Sphenoma) rhododendricola n. sp.; 120-121. Oxypoda (Bessopora) bisinuata Pace, 1999; 122-123. Oxypoda (Bessopora) daxuana n. sp.; 124-126. Oxypoda (Bessopora) xichangensis n. sp. Scale 0,1 mm.
FIGURES 111–125 in Got Males?: The Enigmatic Goblin Spider Genus Triaeris (Araneae, Oonopidae)
FIGURES 111–125. Triaeris ibadan, new species, female. 111. Chelicerae, anterior view. 112. Same, posterior view. 113. Cheliceral retromargin, posterior view. 114. Labium and endites, ventral view. 115. Labrum and endites, dorsal view. 116. Serrula, dorsal view. 117. Sternum, ventral view. 118. Epigastric area, ventral view. 119. Palp, prolateral view. 120. Same, retrolateral view. 121. Palpal tibia, dorsal view. 122. Spinnerets, apical view. 123. Anterior lateral spinneret, same. 124. Posterior median spinneret, same. 125. Posterior lateral spinneret, same.
Figs 111–118 in Revisions of Holocnemus and Crossopriza: the spotted-leg clade of Smeringopinae (Araneae, Pholcidae)
Figs 111–118. Holocnemus caudatus (Dufour, 1820); male and female from Spain, Granada, Trevélez (MHNG). 111. Female ocular area. 112. Male sternum; arrows: indentations. 113–114. Male and female cheliceral stridulatory files. 115. Modified hairs on male cheliceral apophysis. 116. Stridulatory pick on male palpal femur. 117. Right procursus tip, prolateral view; arrow: retrolateral membrane. 118. Male gonopore. Abbreviation: vs = ventral sclerite. Scale bars: 111–112, 117–118 = 100 µm; 113–114 = 20 µm; 115–116 = 10 µm.
Figs 108–111. Philopteroides cucphuongensis Mey, 2004. 108 in The ischnoceran chewing lice (Phthiraptera: Ischnocera) of bulbuls (Aves: Passeriformes: Pycnonotidae), with descriptions of 18 new species
Figs 108–111. Philopteroides cucphuongensis Mey, 2004. 108. Male head, dorsal and ventral views. 109. Male genitalia, dorsal view. 110. Male genitalia, ventral view. 111. Female subgenital plate and vulval margin, ventral view. Abbreviations: ads = anterior dorsal seta; dsms = dorsal submarginal seta; mts1–3 = marginal temporal seta 1–3; pos = preocular seta; pst1–2 = parameral setae 1–2; s4 = postantennal head sensillum 4.
FIGURE 111 in Grenadiers (Teleostei: Gadiformes: Macrouridae) of Japan and adjacent waters, a taxonomic monograph
FIGURE 111. Preserved specimens of Coryphaenoides leptolepis. (A) BMNH 1887.12.7.109, lectotype, 91.6 mm HL, 440+ mm TL, off Pernambuco, Brazil, southwestern Atlantic, 641 m depth; (B) BMNH 1887.12.7.111, paralectotype (also lectotype of Macrurus liocephalus), 84.5 mm HL, 406+ mm TL, off Boso Peninsula, Chiba Pref., Japan, 3429 m depth; (C) BMNH 1887.12.7.112, paralectotype (also paralectotype of M. liocephalus), 36.0 mm HL, 198 mm TL, east of Emperor Seamounts, North Pacific, 3750 m depth; (D) BMNH 1887.12.7.132, paralectotype of Co. variabilis, 36.1 mm HL, 179+ mm TL, east of Emperor Seamounts, Mid-Pacific, 3750 m; (E) USNM 45358, holotype of Chalinura serrula, 57.5 mm HL, 283+ mm TL, east of Prince of Wales Island, Gulf of Alaska, 2870 m depth; (F) MCZ 25824, holotype of Ch. simula, 458 mm TL (fide Goode & Bean 1883:199), south of Nova Scotia, northeastern Atlantic. Lateral views. [Photos: (A–E) N. Nakayama; (F) MCZ]
Figures 111–113 in Trypanothacus gen. n., a new genus of burrowing scorpion from the Arabian Peninsula (Scorpiones: Buthidae)
Figures 111–113: Trypanothacus barnesi gen. et sp. n., mitotic metaphase (111), postpachytene (112) and ideogram (113) (y axis - % of the chromosome length of the haploid set) of male holotype. Scale bar = 5 μm.
Hydrogen atom recombination on Pt(111) and Pt(332)
<p>Experimantal transient rates of HD formation, Molecular beam parameters, Experimental isotopic branching, Experimental H+H rate constants, Modeled dissociative adsorption and recombinative desorption rate constants, Coverage dependent adsorption energy, Quantum mechanical entropy of H-atoms at 598K.</p>
Figures 100–111 in Scorpions of the Horn of Africa (Arachnida Scorpiones) Part XXVIII Scorpions of Djibouti
Figures 100–111: Figures 100–110: Hemiscorpius lipsae sp. n. female holotype, pedipalp (100–109) and telson lateral (110). Figures 100– 109. Chela, dorsal (100), external (101), and ventral (102) views. Patella, dorsal (103), external (104) and ventral (105) views. Femur and trochanter, dorsal (106), and ventral (107) views. Movable (108) and fixed (109) fingers dentation. The trichobothrial pattern indicated in Figures 100–106 by white circles. Figure 111. Hemiscorpius tellini, female holotype, pedipalp chela dorsal.
Data & Codes used in: Quantum Mechanical Derived (VdW-DFT) Transferable Lennard-Jones and Morse Potentials to Model Cysteine and Alkanethiol Adsorption on Au(111)
<p>Here we provide the data, codes, and outline the procedure to reproduce the results presented in the paper "Quantum Mechanical Derived (VdW-DFT) Transferable Lennard-Jones and Morse Potentials to Model Cysteine and Alkanethiol Adsorption on Au(111)" by E. Ventura-Macias, P. M. Martinez, Rubén Pérez, and J. G. Vilhena.</p> <p>The following sections contain a detailed description of the data and codes. At the end of this README, you will find instructions on how to generate the classical force-field parameters (Morse and Lennard-Jones) from the potential energy surfaces (PES) computed at the DFT level.</p> <p>The procedure is general and applies to any given pair of molecule and surface. The provided codes will allow you to swiftly generate the PES at the DFT level, fit the Lennard-Jones and Morse potentials, and test them in a LAMMPS MD simulation.</p> <p>For a thorough explanation of the procedure and the relevance of these results, please refer to the original publication (ARTICLE_DOI).</p> <p>If you find this helpful, please consider citing the article (ARTICLE_DOI).</p> <h2>Data structure</h2> <p>The data is organized in the following way:</p> <ol> <li> <p>DFT</p> <ul> <li>The equilibrium adsorption geometry of methanethiol (MTH), propanethiol (PTH), and cysteine (CYS) for the Au-mol configuration with PBE+DFT-D3.</li> <li>Potential Energy Surface (PES) computed at the DFT level (Figure 3 of the main manuscript).</li> <li>The scripts used to generate the PES.</li> </ul> </li> <li> <p>MD</p> <ul> <li>Fitting code and general instructions on how to use it.</li> <li>General input scripts used to generate MD data within LAMMPS.</li> </ul> </li> </ol> <h3>DFT Data</h3> <p>The DFT data in <code>DFT.zip</code> is organized in the following way:</p> <ul> <li> <p><code>DFT_PES/</code></p> <p>This folder contains the DFT potential energy surfaces (PES) for the interaction of the sulfur atom of methanethiolate (<code>mth</code>), propanethiolate (<code>pth</code>), and cysteine (<code>cys</code>) with the Au(111) surface and the necessary scripts to reproduce it.</p> <ul> <li> <p><code>results/</code></p> <p>The PES are given in one csv file per molecule named as <em><code>mol</code></em> + <code>_PES_S-Au111.csv</code>, where <em><code>mol</code></em> is the molecule name. Columns are as follows:</p> <table> <tbody> <tr> <td><strong>Label</strong></td> <td><strong>Definition</strong></td> </tr> <tr> <td><em>i</em></td> <td>calculation number</td> </tr> <tr> <td><em>site</em></td> <td>adsorption site</td> </tr> <tr> <td><em>z</em></td> <td>distance of the S atom to the surface</td> </tr> <tr> <td><em>deltaz</em></td> <td>distance difference from the minimum energy position of the S atom</td> </tr> <tr> <td><em>pbed3</em></td> <td>PBE+D3 binding energy</td> </tr> <tr> <td><em>pbe</em></td> <td>PBE component of the binding energy</td> </tr> <tr> <td><em>d3</em></td> <td>DFT-D3 component of the binding energy</td> </tr> </tbody> </table> </li> </ul> </li> </ul> <ul> <li> <ul> <li> <p><code>mth/</code> | <code>pth/</code> | <code>cys/</code></p> <p>Each folder contains the CONTCAR (VASP) file for the optimized geometry of the molecule adsorbed on the Au(111) surface with PBE+D3.</p> </li> <li> <p><code>setup_grid.py</code></p> <p>Python script to set up the POSCAR files for the PES calculations.</p> </li> <li> <p><code>read_results.py</code></p> <p>Python script to read the results of the PES calculations.</p> </li> <li> <p><code>sub_array.sh</code></p> <p>Bash script to submit the PES calculations to an SLURM-based cluster.</p> </li> <li> <p><code>INCAR</code> | <code>KPOINTS</code> | <code>surf.CONTCAR</code></p> <p>VASP input files for the PES calculations.</p> </li> </ul> </li> </ul> <h3>MD fitting</h3> <p>The MD data in MD.zip is are organized as:</p> <ul> <li> <p><code>Fitting/</code></p> <ul> <li><code>optimize_Morse.py</code></li> </ul> <p>Contains the Python script used for the fitting procedure of Morse potential.</p> <ul> <li><code>optimize_LJ.py</code></li> </ul> <p>Contains the Python script used for the fitting procedure of LJ potential.</p> </li> <li> <p><code>Histogram/</code></p> <ul> <li><code>in.test</code></li> </ul> <p>LAMMPS input script to extract an XY file for the position of the S atom in an NVT simulation.</p> <ul> <li><code>coord.data</code></li> </ul> <p>Au surface for LAMMPS simulations.</p> <ul> <li><code>SCH3.data</code></li> </ul> <p>SCH3 molecule for LAMMPS simulations.</p> <ul> <li><code>sheng.eam</code></li> </ul> <p>EAM potential file in case Au dynamics are wished to be included.</p> </li> <li> <p><code>Single_point_scan/</code></p> <ul> <li><code>in.scan</code></li> </ul> <p>LAMMPS input script to perform single-point energy scan of a given molecule.</p> <ul> <li><code>coord.data</code></li> </ul> <p>Au surface for LAMMPS simulations.</p> <ul> <li><code>SCH3.data</code></li> </ul> <p>SCH3 molecule for LAMMPS simulations.</p> <ul> <li><code>launch.sh</code></li> </ul> <p>Launches the single point scan.</p> <ul> <li><code>plot_scan.py</code></li> </ul> </li> <li> <p><code>Molecules</code></p> <p>LAMMPS sample geometries for the 3 molecules.</p> </li> </ul> <h2>Steps to reproduce the results</h2> <p>The PES calculations were performed using the VASP code and two Python scripts for setup and results parsing.</p> <h3>Requirements</h3> <ul> <li>VASP (tested with version 5.4.4) <ul> <li><code>PAW_PBE</code> pseudopotentials set version 5.4</li> </ul> </li> <li>Python3 with packages: <ul> <li>ASE (Atomic Simulation Environment)</li> <li>Numpy</li> <li>Pandas</li> <li>matplotlib (optional)</li> </ul> </li> </ul> <h3>Steps</h3> <p>Each molecule has its own directory with the necessary files to reproduce the results. The following steps are for the methanethiolate molecule (<code>mth</code>).</p> <ol> <li>Set up the grid of points for the PES calculations by running the <code>setup_grid.py</code> script. It will create a subfolder <code>run/</code> inside the molecule's directory with the POSCAR files for each point in the grid.</li> </ol> <blockquote> <p>python setup_grid.py mth</p> </blockquote> <ol> <li> <p>Create the corresponding <code>POTCAR</code> file and place it in the molecule's directory.</p> </li> <li> <p>Change the <code>sub_array.sh</code> script to match the number of calculations in the array numbers and the MOL variable.</p> </li> </ol> <pre><code>#SBATCH --array=1-number of calculations MOL=mth</code></pre> <ol> <li>Submit the calculations to a SLURM-based cluster by running the <code>sub_array.sh</code> script from the <code>DFT_PES</code> directory.</li> </ol> <blockquote> <p>sbatch sub_array.sh</p> </blockquote> <ol> <li>After the calculations are finished, run the <code>read_results.py</code> script to parse the results and generate the PES csv files. It takes the arguments <code>--surf</code> and <code>--mol</code> to specify the surface and molecule PBE+D3 and D3 total energies.</li> </ol> <blockquote> <p>python read_results.py mth --surf -128.5228 -17.7147 --mol -22.6026 -0.0083</p> </blockquote> <h3>Reference values for the PBE+D3 and D3 surface and molecule energies</h3> <table> <tbody> <tr> <td> </td> <td><strong>Surface</strong></td> <td> </td> <td><strong>Molecule</strong></td> <td> </td> </tr> <tr> <td><strong>Molecule</strong></td> <td><strong>PBE+D3<br></strong></td> <td><strong>D3</strong></td> <td><strong>PBE+D3</strong></td> <td><strong>D3</strong></td> </tr> <tr> <td>mth</td> <td>-128.5228</td> <td>-17.7147</td> <td>-22.6026</td> <td>-0.0083</td> </tr> <tr> <td>pth</td> <td>-128.5228</td> <td>-17.7147</td> <td>-55.8615</td> <td>-0.0086</td> </tr> <tr> <td>cys</td> <td>-128.5228</td> <td>-17.7147</td> <td>-74.0338</td> <td>-0.1611</td> </tr> </tbody> </table> <h3>Fitting procedure</h3> <p>Both the .xyz and .csv files should be located at the same folder as the script. Then, simply run the code (<code>mth</code> is used as an example):</p> <blockquote> <p>python optimize_Morse.py mth</p> </blockquote> <p>or</p> <blockquote> <p>python optimize_LJ.py mth</p> </blockquote> <p>The script will print the optimized parameters: [De, re, α] or [ϵ, σ] for Morse or LJ respectively. It will also plot a fitting plot and a birdview of the resulting PES.</p> <h3>Using the potential. Histogram example</h3> <p>The code will run for the optimized <code>mth</code> Morse parameters and extract a <code>occ.lammpstrj</code> containing the (x,y) positions of the S atom throughout the NVT simulation. Note that only Au-S interaction is included. Start as:</p> <blockquote> <p>lmp -in in.test</p> </blockquote> <p>This is easily adaptable to other routines or molecules and is thought to be a generic LAMMPS starting input.</p> <h3>Single-point energy scan</h3> <p>Go to the 2C) folder and launch the scan with:</p> <blockquote> <p>./launch.sh</p> </blockquote> <p>This will create a folder named <code>fine_scan</code> containing 128 folders. Each folder is assigned to an (x,y) position. Then, inside each folder, a single-point energy evaluation is performed at various Z heights around the absolute minima.</p> <p>The <code>in.scan</code> file should be modified accordingly with the appropriate potentials. It is set to perform the scan with the optimized Morse potential by default.</p> <p>The output is gathered in the <code>E_readout.dat</code> folder with the following structure (all energies in eV):</p> <table> <tbody> <tr> <th>Total Energy</th> <th>Intramolecular energy</th> <th>Au-mol vdW interaction energy</th> <th>Au-S interaction energy</th> </tr> </tbody> <tbody> <tr> <td>-133.62</td> <td>0.123112</td> <td>-0.2403</td> <td>-1.31765</td> </tr> <tr> <td>-133.721</td> <td>0.123112</td> <td>-0.28-401</td> <td>-1.37853</td> </tr> </tbody> </table> <p>Therefore, the total adsorption energy will be the sum of the last two columns.</p> <p>Energies are ordered in increasing Z for the same (x,y) point. That is, the first 12 lines correspond to 12 heights of the starting (x,y) coordinate, the next 12 lines to heights at the second (x,y) configuration and so on.</p> <p>The python script <code>plot_scan.py</code> may be used to plot the results. The <code>E_readout.dat</code> file and <code>.csv</code> must be in the same folder.</p> <blockquote> <p>python plot_scan.py mth</p> </blockquote>
Figures 111–121 in Scorpions of the Horn of Africa (Arachnida: Scorpiones). Part XXX. Parabuthus (Buthidae) (Part III), with description of three new species from Somaliland and occurrence of Parabuthus eritreaensis Kovařík, 2003
Figures 111–121. Parabuthus quincyae sp. n., male holotype. Right pedipalp, chela in dorsal (111), external (112), and ventral (113) views, patella in dorsal (114), external (115), and ventral (116) views, femur and trochanter in internal (117), dorsal (118), and ventral (119) views. Dentate margins of movable (120) and fixed (121) fingers. Trichobothrial pattern indicated in Figures 111–115 and 117–118 by white circles.
111 in Catalogue of the amphibians of Venezuela: Illustrated and annotated species list, distribution, and conservation
111. Gastrotheca walkeri. Rancho Grande, Henri Pittier National Park, Aragua. Photo: Juan Vicente Rueda-Almonacid.
Dataset: 111, Inc. (YI) Stock Performance
This dataset provides historical stock market performance data for specific companies. It enables users to analyze and understand the past trends and fluctuations in stock prices over time. This information can be utilized for various purposes such as investment analysis, financial research, and market trend forecasting.
Optimized atomic structures of thin Ag films on Pt(111) and Pd(111) surfaces
<p>VASP coordinate files of thin Ag films on Pt(111) and Pd(111) surfaces and the summary spreadsheet of corresponding energies. </p>
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