Browsing JLUdata by Organisational Unit "FB 08 - Biologie und Chemie"
Now showing items 1-20 of 23
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Anhang für "Selbstassoziierende frustrierte Lewis-Paare und mechanistische Untersuchungen zu Piers‘ Boran induzierten Umlagerungen und Carboborierungen"
(2023-05-08)Rohdaten zur Dissertation „Selbstassoziierende frustrierte Lewis-Paare und mechanistische Untersuchungen zu Piers‘ Boran induzierten Umlagerungen und Carboborierungen“ vorgelegt von Tizian Jürgen Müller. Diese Sammlung ... -
Data and Code for "Contrasting Historical and Physical Perspectives in Asymmetric Catalysis: ∆∆G‡ versus enantiomeric excess"
(2023-10-13)This repository contains all datasets that were used to evaluate the difference between ee and ΔΔG‡ modeling in enantioselective organocatalytic reactions. The scripts and notebooks used are also included to elucidate ... -
Data and Code for "Designing the Next Better Catalyst Utilizing Machine Learning with a Key-Intermediate Graph: Differentiating a Methyl from an Ethyl Group"
(2023-11-15)# Dataset and Scripts Overview ## General Overview This dataset includes a series of Python scripts and Jupyter notebooks that are primarily focused on the analysis, modeling, and visualization of chemical data. The ... -
Data and Code for "Machine Learning for Bridging the Gap between Density Functional Theory and Coupled Cluster Energies"
(2023-02-02)The datasets, models, and scripts were created to achieve an accurate prediction of the increment of single-point energies between density functional theory (DFT) and wavefunction-based methods, which led to our submitted ... -
Data for "1,1,2-Ethenetriol: The Enol of Glycolic Acid, a High-Energy Prebiotic Molecule"
(2021)Raw 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 ... -
Data for "Current extinction rate in European freshwater gastropods greatly exceeds that of the late Cretaceous mass extinction"
(2021-03-24)The dataset contains the primary data underyling the diversification analyses in Neubauer et al. (2021), as well as the results of the iucn_sim analyses on current species extinction rates. -
Data for "Diversity, biogeography, and evolution of European freshwater gastropods through time: a voyage across scales"
(2023-01-31)The dataset contains the taxonomic, geographic, and stratigraphic data on freshwater mollusks used in the habilitation thesis of T. A. Neubauer at JLU (2023). The dataset is divided into four parts: 1. species occurrence ... -
Data for "Evolution of JAGGED-like genes functions"
(2023-08-28)This 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 ... -
Data for "Extinction risk is linked to lifestyle in freshwater gastropods"
(2021-08-17)The dataset contains the primary species distribution data for Miocene to extant European freshwater gastropods, as well as the presence-absence data for 130 lakes, used in the analyses in Neubauer & Georgopoulou (2021). -
Data for "Matrix Isolation and Photorearrangement of Cis- and Trans- 1,2-Ethenediol to Glycolaldehyde"
(2022)Raw IR , UV/is and NMR spectra for the publication A. Mardyukov, R. C. Wende, and P. R. Schreiner "Matrix Isolation and Photorearrangement of Cis- and Trans- 1,2-Ethenediol to Glycolaldehyde". File format is the Bruker ... -
Data for "Short-term paleogeographic reorganizations and climate events shaped diversification of North American freshwater gastropods over deep time"
(2022-01-03)The dataset contains species occurrence data for fossil North American freshwater gastropods from the Late Triassic to the Pleistocene. This includes information on geography, taxonomy/systematics, stratigraphy and literature ... -
Data for "The Intrinsic Barrier Width and Its Role in Chemical Reactivity"
(2023-03-07)Raw 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, ... -
Electrochemical data for "Enhancing the Electrochemical Performance of LiNi0.70Co0.15Mn0.15O2 Cathodes Using a Practical Solution-Based Al2O3 Coating"
(2020-06-05)Raw cycling data and electrochemical impedance spectroscopy (EIS) data of the cells investigated in the publication Negi, R.S, Culver, S.P., Mazilkin, A., Brezesinski, T., Elm, M.T. “Enhancing the Electrochemical Performance ... -
Organocatalytic, Chemoselective, and Stereospecific House-Meinwald Rearrangement of Trisubstituted Epoxides
(2023)We present a novel method for the chemoselective House-Meinwald rearrangement of trisubstituted epoxides under mild conditions with the use of simple perfluorinated disulfonimides as Brønsted acid catalysts. We isolated ... -
Preparation and spectroscopic identification of the cyclic carbon dioxide dimer 1,2-dioxetanedione
(2023-06-19)Matrix isolation spectra as ASCII data point files in simple xy-format. Files can be opened and plotted by any combination of text editor and plotting program, respectively. Spectra were recorded on a Bruker Invenio R ... -
Structure Data for "Increased molecular inhomogeneity and cluster glass formation as a basis for inexpensive white-light production"
(2022-03-04)Calculated structural data of monomers and dimers of cluster materials for the publication: Irán Rojas-León, Jan Christmann, Sebastian Schwan, Ferdinand Ziese, Simone Sanna, Doreen Mollenhauer, Nils W. Rosemann, Stefanie ... -
Structure Data for "Insights into molecular cluster materials with adamantane-like core structures by considering dimer interactions"
(2022-11-11)Calculated structural data of monomers, dimers, trimers and tetramers of cluster materials for the publication: Sebastian Schwan, Andreas J. Achazi, Ferdinand Ziese, Peter R. Schreiner, Kerstin volz, Stefanie Dehnen, Simone ... -
Supplemental Material for 'Climate sensitivity of milk production traits and milk fatty acids in genotyped Holstein dairy cows'
(2021)The dataset includes supplementary figures S1-S3 and a table S1 for the manuscript accepted for publication in the Journal of Dairy Science. -
Synthesis and Functionalization of Isomeric Sesquihomodiamantenes
(2023-08-16)Anti- and syn-sesquihomodiamantenes (SDs) were prepared and structurally characterized. Anti-SD and parent sesquihomoadamantene (SA) were CH-bond functionalized utilizing a phase-transfer protocol. The DFT computed ionization ... -
ToF-SIMS raw data for "Bridging the Gap: Electrode Microstructure and Interphase Characterization by Combining ToF-SIMS and Machine Learning"
(2023-09)ToF-SIMS raw data for the paper "Bridging the Gap: Electrode Microstructure and Interphase Characterization by Combining ToF-SIMS and Machine Learning". In the article accompanying the raw data published here, an analytical ...