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6MetaConfigurator: A User-Friendly Tool for Editing Structured Data Files
F. Neubauer, P. Bredl, M. Xu, K. Patel, J. Pleiss, and B. Uekermann. Datenbank-Spektrum, (2024)
16 hours ago by @unibiblio
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1Data for: Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio Study
Y. Ikeda, and F. Körmann. Dataset, (2025)Related to: Y. Ikeda and F. Körmann, Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio Study, J. Phase Equilib. Diff. 42, 551 (2021). doi: 10.1007/s11669-021-00877-x.
2 days ago by @unibiblio
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2Prolinyl Phosphoramidates of Nucleotides with Increased Reactivity
A. Humboldt, F. Rami, F. Topp, D. Arnold, D. Göhringer, P. Pallan, M. Egli, and C. Richert. Angewandte Chemie, 136 (15): e202319958 (2024)
16 days ago by @unibiblio
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2Controlling Monoterpene Isomerization by Guiding Challenging Carbocation Rearrangement Reactions in Engineered Squalene-Hopene Cyclases
J. Ludwig, C. Curado-Carballada, S. Hammer, A. Schneider, S. Diether, N. Kress, S. Ruiz-Barragan, S. Osuna, and B. Hauer. Angewandte Chemie, 136 (12): e202318913 (2024)
16 days ago by @unibiblio
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1Properties of application-relevant microemulsions : influence of short-chain alkanes, pressure and bio-based block copolymers
M. Krappel. Universität Stuttgart, Stuttgart, Dissertation, (2024)
a month ago by @unibiblio-3
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1Sulfobetaine ionic liquid crystals based on strong acids : phase behavior and electrochemistry
A. Lange, N. Kapernaum, Z. Wojnarowska, L. Holtzheimer, S. Mies, V. Williams, F. Gießelmann, and A. Taubert. Physical chemistry, chemical physics, 27 (2): 844–860 (2024)
a month ago by @unibiblio
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1Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced 195Pt solid state NMR spectroscopy and DFT calculations
B. Atterberry, E. Wimmer, S. Klostermann, W. Frey, J. Kästner, D. Estes, and A. Rossini. Chemical science, 16 (3): 1271-1287 (2024)
a month ago by @unibiblio
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1Local Wave Function Embedding: Correlation Regions in PNO-LCCSD(T)-F12 Calculations
H. Werner, and A. Hansen. The journal of physical chemistry. A, Molecules, clusters, and aerosols, 128 (50): 10936–10947 (2024)
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2Discovering Perovskite-Derived Tungsten Bronzes from In Situ Diffraction of Electrochemical Rubidium and Cesium Intercalation
I. Neumann, I. Kosolapova, and B. Rasche. Chemistry of materials, 36 (24): 12026–12033 (2024)
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2Influence of Ionic Liquid Film Thickness and Flow Rate on Macrocyclization Efficiency and Selectivity in Supported Ionic Liquid-Liquid Phase Catalysis
M. Högler, T. Kobayashi, H. Kraus, B. Atwi, M. Buchmeiser, M. Fyta, and N. Hansen. Chemistry - a European journal, 31 (3): e202403237 (2024)
a month ago by @unibiblio
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1Data-Driven Framework for the Prediction of PEGDA Hydrogel Mechanics
Y. Tang, M. Levin, O. Long, C. Eisenbach, N. Cohen, and M. Valentine. ACS biomaterials science & engineering, 11 (1): 259–267 (2024)
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1Aligning and Observing the Liquid Crystal Director in 3D Using Small Magnetic Fields and a Wedge-Cell
L. Gulati, C. Sánchez-Somolinos, F. Gießelmann, and P. Fischer. Advanced functional materials, 35 (3): 2413513 (2024)
a month ago by @unibiblio
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1Accurate Thermochemistry with Multireference Methods : A Stress Test for Internally Contracted Multireference Coupled-Cluster Theory
A. Waigum, M. Ertürk, and A. Köhn. The journal of physical chemistry. A, Molecules, clusters, and aerosols, 128 (46): 10053–10070 (2024)
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2Lateral Mn5Ge3 spin-valve in contact with a high- mobility Ge two-dimensional hole gas
D. Weißhaupt, C. Sürgers, D. Bloos, H. Funk, M. Oehme, G. Fischer, M. Schubert, C. Wenger, J. Slageren, I. Fischer and 1 other author(s). Semiconductor science and technology, 39 (12): 125004 (2024)
a month ago by @unibiblio
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1New Energetic Dodecahydro-closo-Dodecaborates (N2H5)4X2[B12H12] (X = Cl and Br) with a Novel Hexagonal A4B2C Tunnel Structure
R. Hakkak, and T. Schleid. Chemistry of materials, 36 (22): 11170-11179 (2024)
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1The kinase NEK6 positively regulates LSD1 activity and accumulation in local chromatin sub-compartments
F. Knodel, J. Eirich, S. Pinter, S. Eisler, I. Finkemeier, and P. Rathert. Communications biology, (2024)
a month ago by @unibiblio
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1Recycling of hydrogen tolerant La0.6Ca0.4Co0.2Fe0.8O3–d oxygen transport membranes with integrated life cycle assessment for plasma-assisted CO2-conversion
A. Rashid, H. Lim, D. Plaz, G. Cano, M. Bresser, K. Wiegers, V. Zeller, M. Cichocka, M. Thiem, S. Baek and 6 other author(s). Sustainable Materials and Technologies, 42 (December): e01161 (2024)
a month ago by @unibiblio
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3Optimizing the Recovery of (Synthetic) Live Oils : Influence of Propane and Methane in Extended Surfactant Microemulsions
M. Krappel, J. Hippele, S. Kolin, N. Lichterfeld-Weber, R. Schweins, C. Bittner, and T. Sottmann. 85th EAGE Annual Conference & Exhibition, European Association of Geoscientists & Engineers, (2024)
a month ago by @unibiblio
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13ddX: Polarizable Continuum Solvation from Small Molecules to Proteins
M. Nottoli, M. Herbst, A. Mikhalev, A. Jha, F. Lipparini, and B. Stamm. Preprint, (2024)
a month ago by @unibiblio
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1Replication data of Buchmeiser group for: Chromium(II)/(III) Complexes Bearing Phosphino-N-Heterocyclic Carbene and N-Chelating N-Heterocyclic Carbene Ligands and Their Use in Ethylene Oligomerization
S. Bhattacharya, B. Atwi, K. Kundu, W. Frey, and M. Buchmeiser. Dataset, (2025)Related to: Chromium(II)/(III) Complexes Bearing Phosphino-N-Heterocyclic Carbene and N-Chelating N-Heterocyclic Carbene Ligands and Their Use in Ethylene Oligomerization, Somnath Bhattacharya, Boshra Atwi, Koushani Kundu, Wolfgang Frey, Michael R. Buchmeiser*, Organometallics 2025, 44, 315-324. doi: 10.1021/acs.organomet.4c00458.
a month ago by @unibiblio
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6MetaConfigurator: A User-Friendly Tool for Editing Structured Data Files

1Data for: Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio Study

2Prolinyl Phosphoramidates of Nucleotides with Increased Reactivity

2Controlling Monoterpene Isomerization by Guiding Challenging Carbocation Rearrangement Reactions in Engineered Squalene-Hopene Cyclases

1Properties of application-relevant microemulsions : influence of short-chain alkanes, pressure and bio-based block copolymers

1Sulfobetaine ionic liquid crystals based on strong acids : phase behavior and electrochemistry

1Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced 195Pt solid state NMR spectroscopy and DFT calculations

1Local Wave Function Embedding: Correlation Regions in PNO-LCCSD(T)-F12 Calculations

2Discovering Perovskite-Derived Tungsten Bronzes from In Situ Diffraction of Electrochemical Rubidium and Cesium Intercalation

2Influence of Ionic Liquid Film Thickness and Flow Rate on Macrocyclization Efficiency and Selectivity in Supported Ionic Liquid-Liquid Phase Catalysis

1Data-Driven Framework for the Prediction of PEGDA Hydrogel Mechanics

1Aligning and Observing the Liquid Crystal Director in 3D Using Small Magnetic Fields and a Wedge-Cell

1Accurate Thermochemistry with Multireference Methods : A Stress Test for Internally Contracted Multireference Coupled-Cluster Theory

2Lateral Mn5Ge3 spin-valve in contact with a high- mobility Ge two-dimensional hole gas

1New Energetic Dodecahydro-closo-Dodecaborates (N2H5)4X2[B12H12] (X = Cl and Br) with a Novel Hexagonal A4B2C Tunnel Structure

1The kinase NEK6 positively regulates LSD1 activity and accumulation in local chromatin sub-compartments

1Recycling of hydrogen tolerant La0.6Ca0.4Co0.2Fe0.8O3–d oxygen transport membranes with integrated life cycle assessment for plasma-assisted CO2-conversion

3Optimizing the Recovery of (Synthetic) Live Oils : Influence of Propane and Methane in Extended Surfactant Microemulsions

13ddX: Polarizable Continuum Solvation from Small Molecules to Proteins

1Replication data of Buchmeiser group for: Chromium(II)/(III) Complexes Bearing Phosphino-N-Heterocyclic Carbene and N-Chelating N-Heterocyclic Carbene Ligands and Their Use in Ethylene Oligomerization

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