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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Espanya. Estado Mayor del Ejército; Instituto Geográfico y Catastral (Espanya), ed;

    Publicat pel bàndol republicà. - Meridià de Madrid. - Altituds referides al nivell mitjà de la mar a Alacant.- Equidistància de les corbes, 5 m. - Corbes mestres cada 50 m. - Xarxa Lambert: numeració i divisió cada 1 km. - Llegenda. - Explicació sobre l'ús del coordinatògraf

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Repositori d'Objecte...arrow_drop_down
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Jović, Marko;

    Većina ljudi shvaća ambijentalnu muziku kao pozadinsku muziku, no ona je puno više od toga. Osim što je ljudi slušaju, neki ju koriste i u svrhu meditacije, liječenja i opuštanja. Trajanje je ambijentalnih radova većinom duže od ostalih žanrova muzike i albumi se slušaju, u većini slučajeva, kao cjelina, odnosno, poput zvukovnog putovanja. Primarna je ideja i cilj ovog rada objasniti bit ambijentalne muzike, njezin razvoj, podžanrove i utjecaj. Tijekom izrade svog ambijentalnog rada, u kojemu sam koristio dva izvora zvuka, ujedinio sam nekoliko podžanrova i napravio zvukovno putovanje. Osim prikazivanja nekoliko podžanrova ambijentalne muzike, prikazao sam i njihov međusobni kontrast, ali i povezanost. Dizajnom omota povezao sam estetiku Sveučilišta Sjever s estetikom kompozicije.

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ University North Dig...arrow_drop_down
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ University North Dig...arrow_drop_down
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Rey Alamillo, Rosario del; Elipe Muñoz, Paz; Espelage, Dorothy L.;

    Datos, anonimizados, de la encuesta realizada a jóvenes entre 11 y 18 años de Andalucía, durante el año 2017. Los datos incluyen: variables sociodemográficas, subescala de victimización de bullying de la versión española del European Bullying Intervention Project Questionnaire (EBIPQ; Ortega-Ruiz et al., 2016); ítems de victimización verbal homofóbica; Cyberbullying Victimization Emotional Impact Scale (CVEIS; Elipe et al., 2017); ítems sobre orientación sexual y variables resumen de las escalas previas. Datos asociados al siguiente artículo: Elipe, P., Espelage, D.L. & Del Rey, R. (2021). Homophobic Verbal and Bullying Victimization: Overlap and Emotional Impact. Sexuality Research and Social Policy. https://doi.org/10.1007/s13178-021-00613-7 Datos de la encuesta sobre victimización verbal homofóbica y bullying realizada en Andalucía durante el curso académico 2017-18 Formato csv

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ idUS. Depósito de In...arrow_drop_down
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ idUS. Depósito de In...arrow_drop_down
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Instituto Geográfico y Estadístico (Espanya);

    Precedeix al títol: Trabajos topográficos. Planos geométricos por términos municipales mandados formar por la ley de 27 de Marzo de 1900 Abundant toponímia. - Xarxes hidrogràfica i de camins. - Només informació planimètrica. - Orientat amb fletxa assenyalant el nord

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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Unsleber, Jan P.; Liu, Hongbin; Talirz, Leopold; Weymuth, Thomas; +9 Authors

    This dataset contains the supporting information for the journal article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment". It consists of two files: "structures.json", containing 3335 unique structures found in the exploration, and "energies.json", containing 2227 elementary steps and its energies found in the exploration In the file "structures.json", the following keys are used to characterize a structure: _id: the ID of the structure nAtoms: the total number of atoms in the structure atoms: the XYZ coordinates of the atoms in atomic units charge: the total charge of the structure multiplicity: the spin multiplicity 2S+1 of the structure label: the position of the structure on the minimum energy pathway In the file "energies.json", there are two major fields: structures and reactions. In the field "structures", the keys are: id: the ID of structure (can be linked to XYZ coordinates in "structures.json") label: the position of the structure on the minimum energy pathway energy_dft: PBE-D3BJ/def2-SVP total energy in atomic units energy_hf: HF/cc-pVDZ total energy in atomic units energy_ccsd: CCSD/cc-pVDZ total energy in atomic units energy_ccsd_t: CCSD(T)/cc-pVDZ total energy in atomic units energy_gibbs_correction: PBE-D3BJ/def2-SVP Gibbs free energy correction in atomic units In the field "reactions", the keys are: id: the ID of the elementary step lhs: the structure IDs on the left-hand side of the reaction rhs: the structure IDs on the right-hand side of the reaction type: regular or barrierless barrierless: binary key to indicate whether the elementary step has a barrier ts: ID of the transition state structure reaction: the ID of the reaction to which the elementary step belongs Due to the nature of exploration, certain structures can be explored from multiple elementary steps. Therefore, duplicated structures are common in the reaction exploration. In "structures.json", we de-duplicated the structures and only list the unique ones. The coordinates (in bohr) and global attributes like spin multiplicity and charge are provided. In "energies.json", each "step" represents an elementary step. 1260 of the steps are barrierless, while 967 of the steps have a barrier. The structures keys cited in "lhs", "rhs", and "ts" are before de-duplication. The "id" in each structure key points to the unique, de-duplicated structure in "structures.json". The main catalytical pathways (figure 9) can be found in the dataset with the following elementary_step IDs: 62066d2fb8e290f3afb607e2 6206704db8e290f3afb607e3 62067db7b8e290f3afb607e4 620a6d49b8e290f3afb607e5 620a6dbeb8e290f3afb607e6 620a6e2fb8e290f3afb607e7 620a6e78b8e290f3afb607e8 620a7f01b8e290f3afb607e9 620a7f54b8e290f3afb607ea ISBN:https://zenodo.org/communities/reiher-research-group

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ ZENODOarrow_drop_down
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    ZENODO
    Dataset . 2022
    License: CC BY
    Data sources: ZENODO
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    ZENODO
    Dataset . 2023
    License: CC BY
    Data sources: ZENODO
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    ZENODO
    Dataset . 2023
    License: CC BY
    Data sources: Datacite
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      ZENODO
      Dataset . 2022
      License: CC BY
      Data sources: ZENODO
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      ZENODO
      Dataset . 2023
      License: CC BY
      Data sources: ZENODO
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      ZENODO
      Dataset . 2023
      License: CC BY
      Data sources: Datacite
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Luca Comegna; Emilia Damiano; Roberto Greco; Lucio Olivares; +1 Authors

    The dataset contains the experimental field data coming from the automatic monitoring of the annual hydrological response of a shallow deposit in loose pyroclastic soils located in a mountainous area of Campania, Southern Italy. The monitoring station is installed at about 650 m a.s.l. along the northern slope of mount Cornito, about 2 km east of the town of Cervinara, that in December 1999 was involved in a rainfall-induced flowslide. The collected field data consist in: i) precipitations (measured by a rain gauge), ii) soil moisture contents (measured by TDR probes) and iii) soil matric suctions (measured by “Jet-fill” tensiometers). Suction and moisture sensors have been installed at the same depths and connected to a Campbell Scientific Inc. CR-1000 Data Logger, that allows the automatic acquisition and storage of data. Furthermore, the results of some laboratory flume tests carried out on a small-scale slope, reconstituted with volcanic ashes from the same site and from a nearby slope, subjected to an artificial rainwater infiltration, are attached too. Soil matric suction and moisture content were respectively measured by a miniaturised tensiometer and a TDR probe installed close to each other.

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ ZENODOarrow_drop_down
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    ZENODO
    Dataset . 2020
    License: CC BY
    Data sources: ZENODO
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    ZENODO
    Dataset . 2020
    License: CC BY
    Data sources: ZENODO
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    ZENODO
    Dataset . 2020
    License: CC BY
    Data sources: Datacite
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    ZENODO
    Dataset . 2020
    License: CC BY
    Data sources: ZENODO
    image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
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      ZENODO
      Dataset . 2020
      License: CC BY
      Data sources: ZENODO
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      ZENODO
      Dataset . 2020
      License: CC BY
      Data sources: ZENODO
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      ZENODO
      Dataset . 2020
      License: CC BY
      Data sources: Datacite
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      ZENODO
      Dataset . 2020
      License: CC BY
      Data sources: ZENODO
      image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
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    Authors: Božinovski, Dragana M.; Petrović, Predrag; Belić, Milivoj R.; Zarić, Snežana D.;

    Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2154] Related to accepted version: [http://cherry.chem.bg.ac.rs/handle/123456789/3226] Supplementary material for: [https://doi.org/10.1002/cphc.201700847]

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    Authors: Marini G; Whitchurch C;
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    Authors: Angeloni D.; Barravecchia I.; De Cesari C.; Pyankova O. V.; +1 Authors
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    Authors: Kayran, Elif Naz; Danaj, Sonila; Zolyomi, Eszter; Cillo, Rossana; +8 Authors

    Full edition for public use. INFO-POW: Information Channels Mapping Tool Cross-national Dataset is the outcome of the data collection of existing information channels for posting companies in the five project countries (Austria, Belgium, Italy, Slovenia, and Slovakia). The dataset systematically identifies existing information channels and maps different dimensions and characteristics of the currently available information online and offline. The dataset maps information channels targeting companies that are active in the posting of workers within the EU. The data promotes the evidence basis through collecting and evaluating existing information sources specific to the posting process and posted workers' working conditions. In this way, the dataset allows researchers and stakeholders alike to identify the comparative differences in the information provided within and between countries and systematically observe the gaps in available information on the posting of workers.

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    Authors: Espanya. Estado Mayor del Ejército; Instituto Geográfico y Catastral (Espanya), ed;

    Publicat pel bàndol republicà. - Meridià de Madrid. - Altituds referides al nivell mitjà de la mar a Alacant.- Equidistància de les corbes, 5 m. - Corbes mestres cada 50 m. - Xarxa Lambert: numeració i divisió cada 1 km. - Llegenda. - Explicació sobre l'ús del coordinatògraf

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    Authors: Jović, Marko;

    Većina ljudi shvaća ambijentalnu muziku kao pozadinsku muziku, no ona je puno više od toga. Osim što je ljudi slušaju, neki ju koriste i u svrhu meditacije, liječenja i opuštanja. Trajanje je ambijentalnih radova većinom duže od ostalih žanrova muzike i albumi se slušaju, u većini slučajeva, kao cjelina, odnosno, poput zvukovnog putovanja. Primarna je ideja i cilj ovog rada objasniti bit ambijentalne muzike, njezin razvoj, podžanrove i utjecaj. Tijekom izrade svog ambijentalnog rada, u kojemu sam koristio dva izvora zvuka, ujedinio sam nekoliko podžanrova i napravio zvukovno putovanje. Osim prikazivanja nekoliko podžanrova ambijentalne muzike, prikazao sam i njihov međusobni kontrast, ali i povezanost. Dizajnom omota povezao sam estetiku Sveučilišta Sjever s estetikom kompozicije.

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    Authors: Rey Alamillo, Rosario del; Elipe Muñoz, Paz; Espelage, Dorothy L.;

    Datos, anonimizados, de la encuesta realizada a jóvenes entre 11 y 18 años de Andalucía, durante el año 2017. Los datos incluyen: variables sociodemográficas, subescala de victimización de bullying de la versión española del European Bullying Intervention Project Questionnaire (EBIPQ; Ortega-Ruiz et al., 2016); ítems de victimización verbal homofóbica; Cyberbullying Victimization Emotional Impact Scale (CVEIS; Elipe et al., 2017); ítems sobre orientación sexual y variables resumen de las escalas previas. Datos asociados al siguiente artículo: Elipe, P., Espelage, D.L. & Del Rey, R. (2021). Homophobic Verbal and Bullying Victimization: Overlap and Emotional Impact. Sexuality Research and Social Policy. https://doi.org/10.1007/s13178-021-00613-7 Datos de la encuesta sobre victimización verbal homofóbica y bullying realizada en Andalucía durante el curso académico 2017-18 Formato csv

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    Authors: Instituto Geográfico y Estadístico (Espanya);

    Precedeix al títol: Trabajos topográficos. Planos geométricos por términos municipales mandados formar por la ley de 27 de Marzo de 1900 Abundant toponímia. - Xarxes hidrogràfica i de camins. - Només informació planimètrica. - Orientat amb fletxa assenyalant el nord

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    Authors: Unsleber, Jan P.; Liu, Hongbin; Talirz, Leopold; Weymuth, Thomas; +9 Authors

    This dataset contains the supporting information for the journal article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment". It consists of two files: "structures.json", containing 3335 unique structures found in the exploration, and "energies.json", containing 2227 elementary steps and its energies found in the exploration In the file "structures.json", the following keys are used to characterize a structure: _id: the ID of the structure nAtoms: the total number of atoms in the structure atoms: the XYZ coordinates of the atoms in atomic units charge: the total charge of the structure multiplicity: the spin multiplicity 2S+1 of the structure label: the position of the structure on the minimum energy pathway In the file "energies.json", there are two major fields: structures and reactions. In the field "structures", the keys are: id: the ID of structure (can be linked to XYZ coordinates in "structures.json") label: the position of the structure on the minimum energy pathway energy_dft: PBE-D3BJ/def2-SVP total energy in atomic units energy_hf: HF/cc-pVDZ total energy in atomic units energy_ccsd: CCSD/cc-pVDZ total energy in atomic units energy_ccsd_t: CCSD(T)/cc-pVDZ total energy in atomic units energy_gibbs_correction: PBE-D3BJ/def2-SVP Gibbs free energy correction in atomic units In the field "reactions", the keys are: id: the ID of the elementary step lhs: the structure IDs on the left-hand side of the reaction rhs: the structure IDs on the right-hand side of the reaction type: regular or barrierless barrierless: binary key to indicate whether the elementary step has a barrier ts: ID of the transition state structure reaction: the ID of the reaction to which the elementary step belongs Due to the nature of exploration, certain structures can be explored from multiple elementary steps. Therefore, duplicated structures are common in the reaction exploration. In "structures.json", we de-duplicated the structures and only list the unique ones. The coordinates (in bohr) and global attributes like spin multiplicity and charge are provided. In "energies.json", each "step" represents an elementary step. 1260 of the steps are barrierless, while 967 of the steps have a barrier. The structures keys cited in "lhs", "rhs", and "ts" are before de-duplication. The "id" in each structure key points to the unique, de-duplicated structure in "structures.json". The main catalytical pathways (figure 9) can be found in the dataset with the following elementary_step IDs: 62066d2fb8e290f3afb607e2 6206704db8e290f3afb607e3 62067db7b8e290f3afb607e4 620a6d49b8e290f3afb607e5 620a6dbeb8e290f3afb607e6 620a6e2fb8e290f3afb607e7 620a6e78b8e290f3afb607e8 620a7f01b8e290f3afb607e9 620a7f54b8e290f3afb607ea ISBN:https://zenodo.org/communities/reiher-research-group

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    ZENODO
    Dataset . 2022
    License: CC BY
    Data sources: ZENODO
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    ZENODO
    Dataset . 2023
    License: CC BY
    Data sources: ZENODO
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    ZENODO
    Dataset . 2023
    License: CC BY
    Data sources: Datacite
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