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Item Anhang für "Landesgartenschauen als Format der ereignisorientierten Entwicklung von Klein- und Mittelstädten"(2022-01) Karic, SarahDie Sammlung umfasst die Anhänge A-L der Dissertation "Landesgartenschauen als Format der ereignisorientierten Entwicklung von Klein- und Mittelstädten" (http://dx.doi.org/10.22029/jlupub-506). Das Verzeichnis ist sowohl als Textdokument in dem Ordner als auch auf Seite 343 der Dissertation zu finden. Neben Interviewleitfäden und Dokumentationen der Analysen umfasst die Sammlung in Anhang H die erstellte Datenbank im Rahmen der Arbeit als Excel-Datei.Item Anhang für "Selbstassoziierende frustrierte Lewis-Paare und mechanistische Untersuchungen zu Piers‘ Boran induzierten Umlagerungen und Carboborierungen"(2023-05-08) Müller, Tizian JürgenRohdaten zur Dissertation „Selbstassoziierende frustrierte Lewis-Paare und mechanistische Untersuchungen zu Piers‘ Boran induzierten Umlagerungen und Carboborierungen“ vorgelegt von Tizian Jürgen Müller. Diese Sammlung enthält: - NMR-Spektren der charakterisierten Verbindungen und durchgeführten Kinetiken. - SC-XRC Rohdaten und cif-Dateien. - Auswertung der durchgeführten Kinetiken als xlsx-Datei - Rohdaten der diskutierten quantenmechanischen Rechnungen als out-Dateien.Item Anhang für "Shaping climate resilient pathways. Integrative approach for monitoring and evaluation of climate resilience and climate change adaptation"(2022-07-26) Wilden, DanielaDie Sammlung umfasst die Anhänge E und F der Dissertation "Shaping climate resilient pathways. Integrative approach for monitoring and evaluation of climate resilience and climate change adaptation". Beide Anhänge sind Onlinefragebögen. Sie wurden mit der Software LimeSurvey erstellt. Angehängt sind einerseits die reinen .xml-Dateien beider Umfragen, die jeweils die gesamte Umfrage enthalten, und andererseits die zugehörigen .lss-Dateien, die einen direkten Import in LimeSurvey ermöglichen. Aus Gründen des Datenschutzes können die zugehörigen Antworten der Befragten (Rohdaten) nicht mitveröffentlicht werden.Item Code and Data for "S100Z is expressed in a lateral subpopulation of olfactory receptor neurons in the main olfactory system of Xenopus laevis"(2024-02-05) Kahl, Melina; Hassenklöver, ThomasThis repository contains Python scripts that were used to analyze the distribution of manually identified cells in the olfactory system. Multiphoton microscopy image stacks of immunohistochemically labeled olfactory system tissue were manually annotated using the ImageJ ROI Manager tool. Regions of interest were exported from ImageJ as roi-files (provided as zip-archive). We include two datasets that were analyzed using these scripts. The datasets comprise of the imported ROI informations, experiment metadata, and results of calculations performed with the Python scripts. code.py: Script collection to analyze regions of interest drawn using the ImageJ ROI Manager tool. rois_from_imagej.zip: Roi-files exported from ImageJ. Subfolders contain s100z/biocytin labeled cells in different samples. biocytin_cell_counts.csv: Dataset of biocytin-backfilled olfactory receptor neurons s100z_cell_counts.csv: Dataset of human S100Z antibody labeled cellsItem Data and Code for "A primitive-based representation of dance: Modulations by experience and perceptual validity"(2023) Leh, AmalaswinthaMotion capture data (.BVH and .C3D) and code for "A primitive-based representation of dance: Modulations by experience and perceptual validity". Code includes the Temporal movement primitive model (requires PyTorch; https://pytorch.org) and code for a Bayesian ANCOVA (requires PyMC; https://www.pymc.io).Item Data and Code for "Dancing through the Uncanny Valley: On the likeability of model-generated dance movements"(2023-10) Leh, AmalaswinthaData and code for "Dancing through the Uncanny Valley: On the likeability of model-generated dance movements". Data includes Motion capture data (.BVH and .txt), electrodermal activity (EDA/EDASignals.csv) and likeability ratings. Code includes the Temporal movement primitive model (requires PyTorch; https://pytorch.org) and models for the likeability ratings (requires PyMC; https://www.pymc.io). Temporal movement primitives can be learned by providing Code/TMP_model.py the processed Joint angles (contained in the .bvh-files in the folder Data/MotionCapture). Models for the likeability ratings can be trained by providing Code/ModelComparisonRatingDiffs.py the data contained in Data/Ratings/Ratings.csv.Item Data for "1,1,2-Ethenetriol: The Enol of Glycolic Acid, a High-Energy Prebiotic Molecule"(2021) Schreiner, PeterRaw IR , UV/is and NMR spectra for the publication A. Mardyukov, F. Keul, and P. R. Schreiner "1,1,2-Ethenetriol: The Enol of Glycolic Acid, a High-Energy Prebiotic Molecule" . File format is the Bruker vibrational spectroscopy software OPUS for visualization, processing, analysis IR and UV/Vis data. File format is MestReNova NMR software for visualization, processing, analysis NMR data.Item Data for "3D micro printed capillary electrospray thruster with a fully modular integrated extraction electrode"(2023-11-08) Kunze, FynnVideos and the correlating extraction data from 3D micro printed electrospray thrusters. Multiple videos taken from in-situ observation of extraction. Some videos were cut from the live footage captured or slowed/speed up for visibility reasons. However, no further modification were done. For more information read the README file.Item Data for "Development of a multi‐step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes"(2024-01) Achazi, Andreas J.; Mollenhauer, DoreenCalculated structural data of organic redox compounds for the publication: Andreas J. Achazi, Xhesilda Fataj, Philip Rohland, Martin D. Hager, Ulrich S. Schubert, Doreen Mollenhauer. "Development of a multi‐step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes". The structures were optimized at different levels of theory. After downloading and unpacking the *zip-file you will find a file named "Readme.pdf" which contains all details on how to use the dataset and additional computational information to recalculate all data from the dataset (information about software etc.).Item Data for "Development of novel redox-active organic materials based on benzimidazole, benzoxazole, and benzothiazole – a combined theoretical and experimental screening approach"(2023-12) Achazi, Andreas J.; Pohl, K. Linus H.; Mollenhauer, DoreenCalculated structural data of organic redox moieties for the publication: Xhesilda Fataj, Andreas J. Achazi, Philip Rohland, Erik Schröter, Simon Muench, René Burges, K. Linus H. Pohl, Doreen Mollenhauer, Martin D. Hager, Ulrich S. Schubert. "Development of Novel Redox-Active Organic Materials Based on Benzimidazole, Benzoxazole, and Benzothiazole: A Combined Theoretical and Experimental Screening Approach". All structures were optimized at the BP86D3(BJ)/def2-TZVP (DCOSMO-RS) level of theory. The file format is xyz. In the folders are usually subfolders. "n" stands for neutral molecules, "p" stands for plus which means the molecules have a charge of +1, "pp" stands for plusplus which means the molecules have a charge of +2, and "m" stands for minus which means the molecules have a charge of -1. The rotated folder has only the molecules with a charge of +1. It contains the structures calculated with COSMO and in that folder with DCOSMO-RS. The number in front stands for the degree of rotation. You can find the same information in the ReadMe-file included in the zip-archive.Item Data for "Evolution of JAGGED-like genes functions"(2023-08-28) Siwei, PangThis is the supplementary material for the master's thesis "Evolution of JAGGED-like genes functions", including vector maps, vector sequences, and sequencing files. Please see the file "Description of dataset.xlsx" for more information about every file in this dataset and how to use them.Item Data for "Imaging the microstructure of lithium and sodium metal in anode-free solid-state batteries using electron backscatter diffraction"(2024-08-28) Fuchs, Till; Ortmann, TillDataset Description: The data set consists of series of measurements of electrochemical impedance spectroscopy, scanning electron microscopy (SEM), and electron backscatter diffraction (EBSD) to characterize the microstructure of lithium and sodium metal as well as electrochemically depositied alkali metals at a solid|solid interfaces. A detailed description of the data set and supplementary information related to the data file formats is provided in the "README" file. The data set presented serves as the basis for the following publication and is structured in accordance with the figures presented in this manuscript: Title: Imaging the Microstructure of Lithium and Sodium Metal in “Anode-Free” Solid-State Batteries using EBSD Authors: Till Fuchs, Till Ortmann, Juri Becker, Catherine G. Haslam, Maya Ziegler, Vipin Kumar Singh, Marcus Rohnke, Boris Mogwitz, Klaus Peppler, Linda F. Nazar, Jeff Sakamoto and Jürgen Janek DOI: Publication Abstract (English): “Anode-free” or more fittingly, metal reservoir-free cells (RFCs) have the potential of drastically improving current solid-state battery technology by achieving higher energy density, improving safety and simplifying the manufacturing process. Various strategies have been reported so far to control the morphology of electrodeposited alkali metal films to be homogeneous and dense, for example, by utilizing planar interfaces with seed interlayers or three-dimensional host structures. To date, the microstructure of such electrodeposited alkali metal, i.e., its grain size distribution, shape and orientation is unknown, and a suitable characterization route is yet to be identified. At the same time, the influence of the alkali metal microstructure on the electrochemical performance of the anode, including the available discharge capacity, is expected to be substantial. Hence, analysis of the microstructure and its influence on the performance of electrochemically deposited alkali metal layers is a key require-ment to improving cell performance. This work establishes first a highly reproducible protocol for characterizing the size and orientation of metal grains in differently processed lithium and sodium samples by a combination of focused-ion beam (FIB) techniques and electron-backscatter diffraction (EBSD) with high spatial resolution. After ruling out grain growth in lithium or sodium during room temperature storage or induced by FIB, electrodeposited films at Cu|LLZO, Steel|LPSCl and Al|NZSP interfaces were then characterized. The analyses show very large grain sizes (>100 µm) within these films and a clear preferential orientation of grain boundaries. Furthermore, metal growth and dissolution were investigated using in situ SEM analyses, showing a dynamic grain coarsening during electrodeposition and pore formation within grains during dissolution. Our methodology and results open up a new research field for the improvement of solid-state battery performance through first characteriza-tion of the deposited alkali metal microstructure and subsequently suggesting methods to control it.Item Data for "Insight into the Li/LiPON Interface at the Molecular Level: Interfacial Decomposition and Reconfiguration"(2024-05) Wang, Kangli; Mollenhauer, DoreenThis dataset contains the calculated structures involving the surface and interface for the publication: Kangli Wang, Jürgen Janek, Doreen Mollenhauer. "Insight into the Li/LiPON Interface at the Molecular Level: Interfacial Decomposition and Reconfiguration". Further information relevant to the reuse of the dataset can be found in the included readme file.Item Data for "Taking Internally Wetted Capillary Electrospray Emitters to the Sub-Ten-Micrometre Scale with 3D Microlithography"(2021-08-06) Kunze, Fynn L.DC measurements and oscilloscope data of the extraction voltage of an electrospray emitter array with 7 individual emitters. The data consist of two extraction spectra in with the time resolved voltage signal of the HV source and measurement signal and an additional .txt file containing further experimental parameters. The spectra are in a .csv and .txt format and can be opened with any text editor. Furthermore SEM pictrues of the emitters used are present as well.Item Data for "The Enol of Isobutyric Acid"(2024) Danho, AkkadSpectra for deuterated and non-deuterated enols, along with density functional theory computations IR and UVVis-spectra. A Sumitomo cryostat system consisting of an RDK 408D2 closed-cycle refrigerator cold head and an F-70 compressor unit was used for matrix isolation experiments. A polished CsI window was mounted in the cold head sample holder. The sample holder, connected with silicon diodes for temperature measurements, was covered by a vacuum shroud, which was equipped with KBr windows to allow for IR measurements. In some experiments BaF2 windows were used due to their higher transparency when measuring UV/vis spectra. The sample and the host gas (Ar, purity of 99.999%) were co-deposited at 3.5 K. All spectral data were collected at 3.5 K. The pyrolysis zone was equipped with a heatable 90 mm long quartz tube (inner diameter 7 mm), controlled by a Ni/CrNi thermocouple. The travel distance of the sample from the pyrolysis zone to the matrix was ∼45 mm. Ar was stored in a 2 L gas balloon, which was evacuated and filled three times before every experiment. The sample was evaporated from a Schlenk tube at 80 °C (water) and reduced pressure (∼3 × 10–6 mbar) and co-deposited with a high excess of argon on both sides of the matrix window in the dark (preventing unwanted photochemistry) at a rate of ∼1 mbar min–1, based on the pressure inside the Ar balloon. Pyrolyses were carried out at 750 °C. IR spectra were recorded between 7000 and 350 cm–1 with a resolution of 0.7 cm–1 with a Bruker Vertex 70 FTIR spectrometer. A spectrum of the cold matrix window before deposition was used as background spectrum for the subsequent IR measurements. UV/vis spectra were recorded between 190 and 800 nm with a resolution of 1 nm with a Jasco V-760 spectrophotometer. A high-pressure-mercury lamp equipped with a monochromator (LOT Quantum Design) or a low-pressure-mercury lamp (Gräntzel) fitted with a Vycor filter were used for irradiation of the matrix during photochemical experiments. Spectra were saved as "X-files" and can be opened with "OPUS". Computations. All DFT computations were performed with the Gaussian 16,1 Revision C.01 (full citations for electronic structure codes are given at the end of this document) at the B3LYP/def2-TZVP2-3 level of theory. The keywords Opt and Freq=NoRaman were used for the characterization of minima on the PES. For transition structures the keyword Opt=(ts,tight,calcfc,noeigen) was used. UV/Vis absorptions were computed by using the keyword td(50-50,nstates=10). The results of the calculations were saved as "out" files and can be opened with the editor and graphically with 'ChemCraft'.Item Data for "The enol of propionic acid"(2023-08-25) Danho, AkkadIR and UVVis-spectra. A Sumitomo cryostat system consisting of an RDK 408D2 closed-cycle refrigerator cold head and an F-70 compressor unit was used for matrix isolation experiments. A polished CsI window was mounted in the cold head sample holder. The sample holder, connected with silicon diodes for temperature measurements, was covered by a vacuum shroud, which was equipped with KBr windows to allow for IR measurements. In some experiments BaF2 windows were used due to their higher transparency when measuring UV/vis spectra. The sample and the host gas (Ar, purity of 99.999%) were co-deposited at 3.5 K. All spectral data were collected at 3.5 K. The pyrolysis zone was equipped with a heatable 90 mm long quartz tube (inner diameter 7 mm), controlled by a Ni/CrNi thermocouple. The travel distance of the sample from the pyrolysis zone to the matrix was ∼45 mm. Ar was stored in a 2 L gas balloon, which was evacuated and filled three times before every experiment. The sample was evaporated from a Schlenk tube at 70 °C (water) and reduced pressure (∼3 × 10–6 mbar) and co-deposited with a high excess of argon on both sides of the matrix window in the dark (preventing unwanted photochemistry) at a rate of ∼1 mbar min–1, based on the pressure inside the Ar balloon. Pyrolyses were carried out at 500 °C. IR spectra were recorded between 7000 and 350 cm–1 with a resolution of 0.7 cm–1 with a Bruker Vertex 70 FTIR spectrometer. A spectrum of the cold matrix window before deposition was used as background spectrum for the subsequent IR measurements. UV/vis spectra were recorded between 190 and 800 nm with a resolution of 1 nm with a Jasco V-760 spectrophotometer. A high-pressure-mercury lamp equipped with a monochromator (LOT Quantum Design) or a low-pressure-mercury lamp (Gräntzel) fitted with a Vycor filter were used for irradiation of the matrix during photochemical experiments. Spectra were saved as "X-files" and can be opened with "OPUS". Computations. All DFT computations were performed with the Gaussian 16,1 Revision C.01 (full citations for electronic structure codes are given at the end of this document) at the B3LYP/def2-TZVP2-3 level of theory. The keywords Opt and Freq=NoRaman were used for the characterization of minima on the PES. For transition structures the keyword Opt=(ts,tight,calcfc,noeigen) was used. UV/Vis absorptions were computed by using the keyword td(50-50,nstates=10). The results of the calculations were saved as "out" files and can be opened with the editor and graphically with 'ChemCraft'.Item Data for "The Intrinsic Barrier Width and Its Role in Chemical Reactivity"(2023-03-07) Qiu, GuanqiRaw IR spectra for the publication G. Qiu and P. R. Schreiner "The Intrinsic Barrier Width and its Role in Chemical Reactivity". File format is the Bruker vibrational spectroscopy software OPUS and MestReNova for visualization, processing, and analysis of IR data. The integrals of the relevant peaks were collected in the Excel file. Geometry optimizations and non-projected IRCs were computed at the MP2/cc-pVDZ level of theory using the Gaussian 16 package. All output files are provided. Tunneling half-lives and projected IRCs were determined at the CVT/SCT//MP2/cc-pVDZ level of theory using Polyrate Version 2017-c. Both the Polyrate code and the output files are provided.Item Data for "Towards high-density reliable long-term data storage using inkjet-printed quantum dots on paper"(2022) Mengel, NilsSource data for the manuscript with the title "Towards high-density reliable long-term data storage using inkjet-printed quantum dots on paper". It contains the following: - printfiles - graphs in pptx (can be opened with origin) + origin files - *.txt files with mosla encoded to numbersItem Data of TiVO2 on TiO2(110)(2024-03-02) Lu, HaoThis data is raw XRD and Raman data of TiVO2 films on TiO2(110). Angle and temperature-dependent Raman spectroscopic measurements were performed using a Renishaw inVia Raman microscope system. Series of Raman spectra in the temperature range between 0 °C and 80 °C were recorded using a Linkam THMS 600 temperature stage. The spectra were taken in backscattering geometry with 514 nm excitation provided by an Ar-ion laser. Excitation and scattered light passed through a long distance objective (50 ×, Olympus, NA = 0.45). The Rayleigh scattered laser light was rejected by an edge filter enabling the measurement of the Stokes Raman scattered light down to 100 cm-1. The laser power on the sample was 1.9 mW and the spot size about 1 µm. Using polarization optics in the beam path allowed us to measure Raman spectra in parallel and crossed polarization configuration of laser and Raman scattered light. Angle-dependent measurements were realized on the same spot on the sample by rotating the polarizer arrangement in the beam path. Angle alpha is between [001] direction of TiO2 substrate and incoming polarization. Angle-dependent Raman measurements were performed at room temperature with Angle alpha from 0 to 360 degrees in 10 degree steps.Angle-dependent Raman measurements were performed at 80 °C with Angle alpha from -90 to 450 degrees in 15 degree steps. X-ray diffraction (XRD) traces Panalytical X'Pert Pro MRD setups using the Cu-Kα line and an additional sample heater to reach temperatures between room temperature and 80 °C. The sample’s electric resistance as a function of temperature was measured by using a linear four-contact geometry and a heater stage. Either tungsten carbide or steel needles with a diameter of 0.5mm were used as contacts. The total force applied to the needles was about 5 to 16 N. The distance between probes was 1 ± 0.01 mm. The resistance measurements were performed in autoranging mode. The heating rate was 2 °C/min.Item Daten zur Bedarfserhebung zu elektronischen Laborbüchern an der JLU Gießen(2022-08) Pietsch, Andre Manuel; Dees, WernerHinweis: Dies ist die Datenpublikation zur 2022 durchgeführten ELN-Bedarfserhebung an der JLU. Den dazugehörigen Ergebnisbericht finden sie hier: http://dx.doi.org/10.22029/jlupub-2974. Die Daten entstanden im Rahmen einer Bedarfserhebung zu elektronischen Laborbüchern (kurz "ELNs"), die Anfang 2022 im Zeitraum vom 10.01 bis 06.02 an der Justus-Liebig-Universität Gießen durchgeführt wurde. Die Zielgruppe waren alle Forschenden und Mitarbeiter/innen der JLU Gießen mit Interesse an elektronischen Laborbüchern. Die Teilnehmendenzahl betrug insgesamt 378 Personen. Den Ergebnisbericht zu dem folgenden Datensatz finden Sie unter folgender Adresse: http://dx.doi.org/10.22029/jlupub-2974 Der hier vorliegende Datensatz enthält alle im Ergebnisbericht verwendeten Diagramme, den gesamten in LimeSurvey erstellten Fragebogen in allen von LimeSurvey angebotenen Exportformaten, die verwendeten Daten und die zugehörige SPSS-Syntaxdatei sowie ein Codebuch, welches die einzelnen Variablen und Werte in den Daten erläutert. Zum Einlesen der csv-Datei ("eln-bedarfserhebung_daten_anonymisiert.csv") in SPSS müssen Sie in der SPSS-Syntax beim Subcommand "/FILE" ihren eigenen Pfad zur csv-Datei ergänzen.