cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.4715888
title: Theoretical simulations for: Synthesis and Local Probe Gating of a Monolayer Metal‐Organic Framework

description: All necessary data and workflow for DFT calculations and STM simulations published in: Yan, L., Silveira, O. J., Alldritt, B., Krejčí, O., Foster, A. S., Liljeroth, P., Synthesis and Local Probe Gating of a Monolayer Metal‐Organic Framework. <em>Adv. Funct. Mater.</em> 2021, 2100519. https://doi.org/10.1002/adfm.202100519 Cu2DCA.opt.in, which contains the DFT parameters used in the optimization of the DCA3Cu2 MOF on graphene as calculated with quantum espresso, as well as the optimised geometry of the system Cu2DCA.nscf.in, contains the DFT parameters for the calculations of PDOS and further calculations of the band structure Cu2DCA.bands.in, contains the DFT parameters for the calculation of band structure Quantum Espresso version was 6.4 . geometry.in, FHI-AIMS input geometry file control.in, input file containing the DFT parameters used to print the eigenvectors. This calculation was performed with FHI-AIMS FHI-AIMS ( https://aimsclub.fhi-berlin.mpg.de ) version was aims.191119.mpi.scalapack.x . PPSTM_simple-s.py, script running PP-STM simulations using the Tersoff-Hamann approximation PPSTM_simple-5s95pxy.py, Script running PP-STM simulations for 5% of s and 95% of pxy orbitals PPSTM ( https://github.com/ondrejkrejci/PPSTM ) version used: &gt;&gt;&gt; commit b66fa0d1c1d0ae2626636cd87caad47df1eefdd3<br> &gt;&gt;&gt; Author: Krejci Ondrej &lt;krejcio1@t30400-la055.org.aalto.fi&gt;<br> &gt;&gt;&gt; Date: Thu Oct 24 16:31:41 2019 +0300 The constant height scan was obtained from the previously calculated XSF files via an Mathematica PPSTM_contant_current_XSF_view.nb notebook (file atomic_prop.dat has a data for colours of atoms in the Mathematica notebook).
description: Achieving large‐area uniform 2D metal‐organic frameworks (MOFs) and controlling their electronic properties on inert surfaces is a big step toward future applications in electronic devices. Here a 2D monolayer Cu‐dicyanoanthracene MOF with long‐range order is successfully fabricated on an epitaxial graphene surface. Its structural and electronic properties are studied by low‐temperature scanning tunneling microscopy and spectroscopy complemented by density‐functional theory calculations. Access to multiple molecular charge states in the 2D MOF is demonstrated using tip‐induced local electric fields. It is expected that a similar strategy could be applied to fabricate and characterize 2D MOFs with exotic, engineered electronic states.
DOI: 10.1285/i9788883051739p65
title: Spazio duale. Convergenze (sequenziali) debole e debole*
DOI: 10.1285/i9788883051739p79
title: Teoremi di estensione per funzionali lineari, lineari limitati e conseguenze
DOI: 10.1285/i9788883051739p111
title: Teoria di Fredholm. Teorema spettrale di Hilbert-Schmidt
DOI: 10.1285/i9788883051739p179
title: Principi del max-min. Teoria di Sturm-Liouville
DOI: 10.1285/i9788883051739p229
title: Teoria dei Semigruppi di operatori lineari
DOI: 10.1285/i9788883051739p245
title: Applicazione a due prototipi dei problemi evolutivi relativi all'Equazione del calore e all'Equazione delle onde
DOI: 10.1285/i9788883051739p267
title: Bibliografia
DOI: 10.5281/zenodo.4777893
title: Raw and analyzed data for manuscript "Preparation, surface characterization and water resistance of silicate and sol-silicate inorganic-organic hybrid dispersion coatings for wood"

description: <strong>Abstract </strong> In this work, potassium silicate and potassium methylsiliconate aqueous solutions and their mixtures with a colloidal silica were used in the preparation of silicate and sol-silicate coatings. The white coating paints were brushed on beech wood substrates at a rate of 220 g·m<sup>−2</sup>. The coatings exhibited good coverage ability. The pull-off adhesion strength values appeared to be related to pH following a polynomial law. The adhesion strength for the silicate coatings were adequate (above 3 MPa and up to 5 MPa) for wood, whereas the values for the sol-silicates were too low for practical applications. The adhesion values were in general higher for the samples cured in a climate room ((23±3) °C and (75±2) % relative humidity) than the samples cured in the ambient atmosphere of the laboratory ((23±3) °C and (25±5) % relative humidity). The presence of microdefects (cracks, holes) was revealed in the coating layers by optical and scanning electron microscopy. The surface roughness parameters assessed by confocal scanning laser microscopy were dependent on the magnification applied for their measurement. The arithmetic average roughness <em>S<sub>a</sub></em> was between 5 µm and 10 µm at magnification 5× and between 2.5 µm and 10 µm at magnification 20×. The maximum peak-to-valley height <em>S</em><sub>z</sub> confirmed the presence of open pores emerging through the coatings. The open porosities constitute free pathways for water ingress in the coatings, and could explain the high water absorption of the coatings including the methysiliconate-containing silicate coating and despite the relatively high water contact angle and low wettability exhibited by this sample. The post-application of a hydrophobizing solution containing hexadecyltrimethoxysilane and dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride considerably reduced the water permeability, while application of nanosilica-containing organic primers increased the adhesion for the coatings. Silicate coatings resistant against water damages can be generated on wood even without a primer, but an improvement of the paint formulations to control the formation of microcracks and open porosities could be useful to reduce the liquid water permeability and increase durability. Otherwise, the application of a hydrophobizing treatment can be used for this purpose.
DOI: 10.5281/zenodo.4777892
title: Raw and analyzed data for manuscript "Preparation, surface characterization and water resistance of silicate and sol-silicate inorganic-organic hybrid dispersion coatings for wood"

description: <strong>Abstract </strong> In this work, potassium silicate and potassium methylsiliconate aqueous solutions and their mixtures with a colloidal silica were used in the preparation of silicate and sol-silicate coatings. The white coating paints were brushed on beech wood substrates at a rate of 220 g·m<sup>−2</sup>. The coatings exhibited good coverage ability. The pull-off adhesion strength values appeared to be related to pH following a polynomial law. The adhesion strength for the silicate coatings were adequate (above 3 MPa and up to 5 MPa) for wood, whereas the values for the sol-silicates were too low for practical applications. The adhesion values were in general higher for the samples cured in a climate room ((23±3) °C and (75±2) % relative humidity) than the samples cured in the ambient atmosphere of the laboratory ((23±3) °C and (25±5) % relative humidity). The presence of microdefects (cracks, holes) was revealed in the coating layers by optical and scanning electron microscopy. The surface roughness parameters assessed by confocal scanning laser microscopy were dependent on the magnification applied for their measurement. The arithmetic average roughness <em>S<sub>a</sub></em> was between 5 µm and 10 µm at magnification 5× and between 2.5 µm and 10 µm at magnification 20×. The maximum peak-to-valley height <em>S</em><sub>z</sub> confirmed the presence of open pores emerging through the coatings. The open porosities constitute free pathways for water ingress in the coatings, and could explain the high water absorption of the coatings including the methysiliconate-containing silicate coating and despite the relatively high water contact angle and low wettability exhibited by this sample. The post-application of a hydrophobizing solution containing hexadecyltrimethoxysilane and dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride considerably reduced the water permeability, while application of nanosilica-containing organic primers increased the adhesion for the coatings. Silicate coatings resistant against water damages can be generated on wood even without a primer, but an improvement of the paint formulations to control the formation of microcracks and open porosities could be useful to reduce the liquid water permeability and increase durability. Otherwise, the application of a hydrophobizing treatment can be used for this purpose.
DOI: 10.5281/zenodo.4778058
title: Water uptake in Ni-zeolite 13× beads as measured gravimetrically and by high-resolution neutron imaging

description: Data to Fig. 2(right) in J. Terreni et al., J. Phys. Chem. C 2018, 122, 23574−23581 (DOI: 10.1021/acs.jpcc.8b07321) Water uptake in Ni-zeolite 13X beads as measured gravimetrically and by high-resolution neutron imaging (equilibrium values)
DOI: 10.5281/zenodo.4778057
title: Water uptake in Ni-zeolite 13× beads as measured gravimetrically and by high-resolution neutron imaging

description: Data to Fig. 2(right) in J. Terreni et al., J. Phys. Chem. C 2018, 122, 23574−23581 (DOI: 10.1021/acs.jpcc.8b07321) Water uptake in Ni-zeolite 13X beads as measured gravimetrically and by high-resolution neutron imaging (equilibrium values)
DOI: 10.5281/zenodo.4771774
title: Experimental Repository for "FOLASP: FO(.) as Input Language for Answer Set Solvers"

description: Experimental repository for the paper "FOLASP: FO(.) as Input Language for Answer Set Solvers". It consists of three parts: - folasp_experiments.tar.gz: a docker image containing the necessary software configuration (an Ubuntu OS with Clingo, IDP and FOLASP loaded).<br> - dockervolume.tar.gz: a directory containing the instances and configuration files for the experiment, meant to be writable by the loaded docker image.<br> - results.zip: a directory contaning detailed experimental results in comma-separate value format. To run the experiments, have a system available with docker installed. 1) extract dockervolume.tar.gz to some directory DIR, e.g., using the command<br> $ tar -xf dockervolume.tar.gz<br> 2) load the docker image, e.g.,<br> $ docker load -i folasp_experiments.tar.gz<br> 3) run the experiments in a docker container with the dockervolume mounted, e.g.,<br> $ docker run -it --mount type=bind,source=&lt;DIR&gt;/dockervolume,target=/home/test/volume folasp_experiments To adjust the experimental parameters (e.g., time and memory limits or number of threads used), adjust the file &lt;DIR&gt;/dockervolume/experiments/config.benchie .
DOI: 10.5281/zenodo.4771773
title: Experimental Repository for "FOLASP: FO(.) as Input Language for Answer Set Solvers"

description: Experimental repository for the paper "FOLASP: FO(.) as Input Language for Answer Set Solvers". It consists of three parts: - folasp_experiments.tar.gz: a docker image containing the necessary software configuration (an Ubuntu OS with Clingo, IDP and FOLASP loaded).<br> - dockervolume.tar.gz: a directory containing the instances and configuration files for the experiment, meant to be writable by the loaded docker image.<br> - results.zip: a directory contaning detailed experimental results in comma-separate value format. To run the experiments, have a system available with docker installed. 1) extract dockervolume.tar.gz to some directory DIR, e.g., using the command<br> $ tar -xf dockervolume.tar.gz<br> 2) load the docker image, e.g.,<br> $ docker load -i folasp_experiments.tar.gz<br> 3) run the experiments in a docker container with the dockervolume mounted, e.g.,<br> $ docker run -it --mount type=bind,source=&lt;DIR&gt;/dockervolume,target=/home/test/volume folasp_experiments To adjust the experimental parameters (e.g., time and memory limits or number of threads used), adjust the file &lt;DIR&gt;/dockervolume/experiments/config.benchie .
DOI: 10.34740/kaggle/dsv/2255901
title: multilevel causality relations deaths age sex
DOI: 10.6084/m9.figshare.14635806
title: Tabla 6. Estadística de Viajeros por medio de transporte.

description: En el año 2021, el transporte aéreo y marítimo junto con el transporte discrecional (taxis, uber) cayó en picado, sin embargo, aunque el transporte terrestre, experimentó grandes pérdidas, fue el único que se mantuvo para cubrir las necesidades básicas durante los meses de confinamiento.
DOI: 10.6084/m9.figshare.14635806.v1
title: Tabla 6. Estadística de Viajeros por medio de transporte.

description: En el año 2021, el transporte aéreo y marítimo junto con el transporte discrecional (taxis, uber) cayó en picado, sin embargo, aunque el transporte terrestre, experimentó grandes pérdidas, fue el único que se mantuvo para cubrir las necesidades básicas durante los meses de confinamiento.
DOI: 10.6084/m9.figshare.14635839.v1
title: data.json

description: JSON output of the Random Number Generator
DOI: 10.6084/m9.figshare.14635839
title: data.json

description: JSON output of the Random Number Generator
DOI: 10.15161/oar.it/73801
title: CovidStat project data

description: This record contains the daily updated data of the CovidStat project. CovidStat is a project carried out by the CovidStat Working Group at INFN, whose creation was promoted within the Italian National Institute of Nuclear Physics with the aim of making a statistical analysis of the data provided daily by the Civil Protection on the spread of the pandemic in Italy. CovidStat data can interactively be browsed at https://covid19.infn.it.
description: The software to process this Root TTree is in the related identifier. Be sure to use the right corresponding version, based on the data in which Root TTree was generated.
DOI: 10.6084/m9.figshare.14635878
title: Tabla 7. Principales alojamientos turísticos en España por número de pernoctaciones.

description: Los hoteles son los principales alojamientos preferidos por los turistas, sin embargo con la crisis del coronavirus fueron los más golpeados, los turistas decidieron alojarse en lugares más apartados, como alojamientos rurales o camping, que experimentaron un menor descenso.
DOI: 10.6084/m9.figshare.14635878.v1
title: Tabla 7. Principales alojamientos turísticos en España por número de pernoctaciones.

description: Los hoteles son los principales alojamientos preferidos por los turistas, sin embargo con la crisis del coronavirus fueron los más golpeados, los turistas decidieron alojarse en lugares más apartados, como alojamientos rurales o camping, que experimentaron un menor descenso.
DOI: 10.6084/m9.figshare.14625564
title: Eigenvalue self-consistent GW quasiparticle energies for 22K molecules in the QM8 dataset, water monomers and dimers, and aqueous acetone

description: This dataset consists of three subsets: (i) the QM8 dataset [Sci. Data 1, 140022 (2014)], (ii) selected water monomers and dimers from the H20-13 dataset [Phys. Rev. B 88, 054104 (2013)], and (iii) selected conformations of water-solvated acetone extracted from a classical Molecular Dynamics trajectory. <br><b>QM8_GW.zip</b>:<br>This contains full output of eigenvalue self-consistent <i>GW</i> calculations on the molecules in the QM8 dataset performed with the VOTCA-XTP package (www.votca.org). Ground state DFT is performed with the PBE0 hybrid functional, all steps use the def2-tzvp basis, and the frequency-dependence of the self-energy in the <i>GW</i> step is evaluated using a fully analytical approach. <br><b>QM8_GDMA.zip:</b><br>For a selected subset of molecules and quasiparticle levels, orbital partial charges have been determined using Gaussian Distributed Multipole Analysis. This part contains the output in GDMA's native format (https://gitlab.com/anthonyjs/gdma).<br><b>QM8_Mulliken.zip:</b>Same as QM8_GDMA.zip, based on Mulliken populations instead.<br><b>H2O_monomers_GW.zip / H2O_dimers_GW.zip:</b><br>Same as QM8_GW.zip, just for water monomers and dimers from the H2O-13 dataset.<br><b>H2O_monomers_GDMA.zip / H2O_dimers_GDMA.zip:</b><br>Same as QM8_GDMA.zip, just for water monomers and dimers from the H2O-13 dataset.<br><br><b>acetone_GW.zip:</b><br>Same as QM8_GW.zip, for acetone + 10 closest H2O molecules taken from a classical MD trajectory. Frequency-dependence of the self-energy in the <i>GW</i> steps treated with a Plasmon-Pole Model.<br><b>acetone_Mulliken.zip:</b>Same as QM8_Mulliken.zip.
DOI: 10.6084/m9.figshare.14625564.v1
title: Eigenvalue self-consistent GW quasiparticle energies for 22K molecules in the QM8 dataset, water monomers and dimers, and aqueous acetone

description: This dataset consists of three subsets: (i) the QM8 dataset [Sci. Data 1, 140022 (2014)], (ii) selected water monomers and dimers from the H20-13 dataset [Phys. Rev. B 88, 054104 (2013)], and (iii) selected conformations of water-solvated acetone extracted from a classical Molecular Dynamics trajectory. <br><b>QM8_GW.zip</b>:<br>This contains full output of eigenvalue self-consistent <i>GW</i> calculations on the molecules in the QM8 dataset performed with the VOTCA-XTP package (www.votca.org). Ground state DFT is performed with the PBE0 hybrid functional, all steps use the def2-tzvp basis, and the frequency-dependence of the self-energy in the <i>GW</i> step is evaluated using a fully analytical approach. <br><b>QM8_GDMA.zip:</b><br>For a selected subset of molecules and quasiparticle levels, orbital partial charges have been determined using Gaussian Distributed Multipole Analysis. This part contains the output in GDMA's native format (https://gitlab.com/anthonyjs/gdma).<br><b>QM8_Mulliken.zip:</b>Same as QM8_GDMA.zip, based on Mulliken populations instead.<br><b>H2O_monomers_GW.zip / H2O_dimers_GW.zip:</b><br>Same as QM8_GW.zip, just for water monomers and dimers from the H2O-13 dataset.<br><b>H2O_monomers_GDMA.zip / H2O_dimers_GDMA.zip:</b><br>Same as QM8_GDMA.zip, just for water monomers and dimers from the H2O-13 dataset.<br><br><b>acetone_GW.zip:</b><br>Same as QM8_GW.zip, for acetone + 10 closest H2O molecules taken from a classical MD trajectory. Frequency-dependence of the self-energy in the <i>GW</i> steps treated with a Plasmon-Pole Model.<br><b>acetone_Mulliken.zip:</b>Same as QM8_Mulliken.zip.
DOI: 10.6084/m9.figshare.9810395
title: Prenatal diagnosis of Desbuquois dysplasia type 1 by whole exome sequencing before the occurrence of specific ultrasound signs

description: Desbuquois dysplasia is a very severe and sometimes lethal form of osteochondrodysplasia characterized by prenatal onset of severe micromelic short stature, joint laxity with multiple joint dislocations, specific radiographic features, and facial dysmorphism. Here, we report a case for which whole exome sequencing allowed early prenatal diagnosis of Desbuquois dysplasia before the detection of characteristic ultrasound signs of the disease.
DOI: 10.6084/m9.figshare.9810395.v1
title: Prenatal diagnosis of Desbuquois dysplasia type 1 by whole exome sequencing before the occurrence of specific ultrasound signs

description: Desbuquois dysplasia is a very severe and sometimes lethal form of osteochondrodysplasia characterized by prenatal onset of severe micromelic short stature, joint laxity with multiple joint dislocations, specific radiographic features, and facial dysmorphism. Here, we report a case for which whole exome sequencing allowed early prenatal diagnosis of Desbuquois dysplasia before the detection of characteristic ultrasound signs of the disease.
DOI: 10.5281/zenodo.4666039
title: Digital index of letters from Fanny Lewald (and Adolf Stahr) to Hermann Hettner, 1847-1857

description: Editor and data curation: Frederike Neuber (neuber@bbaw.de) Format: Correspondence Metadata Interchange Format (CMIF) of the webservice correspSearch Source: Fanny Lewald an Hermann Hettner. Briefe aus den Jahren 1847-1857. Edited and commented by Frederike Neuber (in Opera minora editorica. Editorische Beiträge zur Kulturwissenschaft - Berliner Beiträge zur Editionswissenschaft 17, edited by Jörg Jungmayr and Marcus Schotte). Berlin 2017.
DOI: 10.5281/zenodo.4666038
title: Digital index of letters from Fanny Lewald (and Adolf Stahr) to Hermann Hettner, 1847-1857

description: Editor and data curation: Frederike Neuber (neuber@bbaw.de) Format: Correspondence Metadata Interchange Format (CMIF) of the webservice correspSearch Source: Fanny Lewald an Hermann Hettner. Briefe aus den Jahren 1847-1857. Edited and commented by Frederike Neuber (in Opera minora editorica. Editorische Beiträge zur Kulturwissenschaft - Berliner Beiträge zur Editionswissenschaft 17, edited by Jörg Jungmayr and Marcus Schotte). Berlin 2017.
DOI: 10.6084/m9.figshare.14635986
title: Trap versus net: behavioural sampling bias caused by capture method in three-spined sticklebacks

description: Dataset
DOI: 10.6084/m9.figshare.14635932
title: Tabla 8.Estancia media por tipo de alojamientos de los turistas en España. 2019-2020.

description: Durante el año 2020 coincidiendo con la Pandemia, los establecimientos turísticos experimentaron unas pérdidas cercanas al 70%, lo que sí aumento fue la duración de la estancia media. Los turistas prefirieron lugares más apartados donde poder escapar de la sociedad y del Covid.
DOI: 10.6084/m9.figshare.14635932.v2
title: Tabla 8.Estancia media por tipo de alojamientos de los turistas en España. 2019-2020.

description: Durante el año 2020 coincidiendo con la Pandemia, los establecimientos turísticos experimentaron unas pérdidas cercanas al 70%, lo que sí aumento fue la duración de la estancia media. Los turistas prefirieron lugares más apartados donde poder escapar de la sociedad y del Covid.
DOI: 10.6084/m9.figshare.14635932.v1
title: Tabla 8.Estancia media por tipo de alojamientos de los turistas en España.

description: Durante el año 2020 coincidiendo con la Pandemia, los establecimientos turísticos experimentaron unas pérdidas cercanas al 70%, lo que sí aumento fue la duración de la estancia media. Los turistas prefirieron lugares más apartados donde poder escapar de la sociedad y del Covid.
DOI: 10.5281/zenodo.4778146
title: Leveltlab/Tuftapic:

description: DATASET: Simultaneous 2-photon calcium imaging in dendritic tufts & cell bodies of single pyramidal neurons in mouse V1.
DOI: 10.5281/zenodo.4778145
title: Leveltlab/Tuftapic:

description: DATASET: Simultaneous 2-photon calcium imaging in dendritic tufts & cell bodies of single pyramidal neurons in mouse V1.