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5063 Publications
2022 | Journal Article | LibreCat-ID: 37710
Ruiz Alvarado, Isaac Azahel, and Wolf Gero Schmidt. “Water/InP(001) from Density Functional Theory.” ACS Omega, vol. 7, no. 23, American Chemical Society (ACS), 2022, pp. 19355–64, doi:10.1021/acsomega.2c00948.
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| DOI
2022 | Journal Article | LibreCat-ID: 37681
Moritz, Dominik Christian, et al. “P-Terminated InP (001) Surfaces: Surface Band Bending and Reactivity to Water.” ACS Applied Materials & Interfaces, vol. 14, no. 41, American Chemical Society (ACS), 2022, pp. 47255–61, doi:10.1021/acsami.2c13352.
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| DOI
2022 | Journal Article | LibreCat-ID: 37714
Karmo, Marsel, et al. “Reconstructions of the As-Terminated GaAs(001) Surface Exposed to Atomic Hydrogen.” ACS Omega, vol. 7, no. 6, American Chemical Society (ACS), 2022, pp. 5064–68, doi:10.1021/acsomega.1c06019.
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2022 | Book Chapter | LibreCat-ID: 29808
Schindlmayr, Arno. “Programmierung und Computersimulationen.” Kompetent Prüfungen gestalten: 60 Prüfungsformate für die Hochschullehre, edited by Julia Gerick et al., 2nd ed., Waxmann, 2022, pp. 270–74, doi:10.36198/9783838558592.
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| DOI
2022 | Journal Article | LibreCat-ID: 34884
Prasannan, Nidhin, et al. “Direct Measurement of Higher-Order Nonlinear Polarization Squeezing.” Physical Review Letters, vol. 129, no. 26, 263601, American Physical Society (APS), 2022, doi:10.1103/physrevlett.129.263601.
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| DOI
2022 | Journal Article | LibreCat-ID: 40423
Bauch, Fabian, et al. “Protonation-Induced Charge Transfer and Polaron Formation in Organic Semiconductors Doped by Lewis Acids.” RSC Advances, vol. 12, no. 22, Royal Society of Chemistry (RSC), 2022, pp. 13999–4006, doi:10.1039/d2ra02032g.
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| DOI
2022 | Journal Article | LibreCat-ID: 40425
Bathe, Thomas, et al. “Microscopic Study of Molecular Double Doping.” The Journal of Physical Chemistry A, vol. 126, no. 13, American Chemical Society (ACS), 2022, pp. 2075–81, doi:10.1021/acs.jpca.1c09179.
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| DOI
2022 | Journal Article | LibreCat-ID: 33965 | 
Bocchini, Adriana, et al. “Electrochemical Performance of KTiOAsO_4 (KTA) in Potassium-Ion Batteries from Density-Functional Theory.” Phys. Rev. Materials, vol. 6, American Physical Society, 2022, p. 105401, doi:10.1103/PhysRevMaterials.6.105401.
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2022 | Journal Article | LibreCat-ID: 31254
Bocchini, Adriana, et al. “Oxygen Vacancies in KTiOPO_4: Optical Absorption from Hybrid DFT.” Phys. Rev. B, vol. 105, American Physical Society, 2022, p. 205118, doi:10.1103/PhysRevB.105.205118.
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2022 | Journal Article | LibreCat-ID: 40154
Krüger, Jan Tobias, et al. “FeMn with Phases of a Degradable Ag Alloy for Residue-Free and Adapted Bioresorbability.” Journal of Functional Biomaterials, vol. 13, no. 4, MDPI AG, 2022, p. 185, doi:10.3390/jfb13040185.
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2022 | Journal Article | LibreCat-ID: 34652
Vieth, P., et al. “Enhancement of the Delamination Resistance of Adhesive Film Coated Surface Laser Melted Aluminum 7075-T6 Alloy by Aminophosphonic Acid Adsorption.” Surface and Coatings Technology, vol. 447, 128835, Elsevier BV, 2022, doi:10.1016/j.surfcoat.2022.128835.
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2022 | Journal Article | LibreCat-ID: 30103
Huang, Jingyuan, et al. “Influence of Proteins on the Corrosion of a Conventional and Selective Laser Beam Melted FeMn Alloy in Physiological Electrolytes.” Corrosion Science, vol. 200, Elsevier BV, 2022, p. 110186, doi:10.1016/j.corsci.2022.110186.
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2022 | Journal Article | LibreCat-ID: 34654
Kusoglu, Ihsan Murat, et al. “Microstructure and Corrosion Properties of PBF-LB Produced Carbide Nanoparticles Additivated AlSi10Mg Parts.” Procedia CIRP, vol. 111, Elsevier BV, 2022, pp. 10–13, doi:10.1016/j.procir.2022.08.046.
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2022 | Conference Abstract | LibreCat-ID: 44376
Tonbul, Güldeniz, et al. Development of Battery System Based on Na-S and Characterization Using X-Ray Absorption Spectroscopy. 2022.
LibreCat
2022 | Journal Article | LibreCat-ID: 32068
Ahmed, Hammad, et al. “Multichannel Superposition of Grafted Perfect Vortex Beams.” Advanced Materials, vol. 34, no. 30, 2203044, Wiley, 2022, doi:10.1002/adma.202203044.
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2022 | Journal Article | LibreCat-ID: 45007
Yang, Y., et al. “Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The ‘Clusters-in-a-Liquid’ Model and Ab Initio Molecular Dynamics Simulations.” ChemPhysChem, vol. 23 (11), 2022, p. e202200161, doi:10.1002/cphc.202200161.
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| DOI
2022 | Journal Article | LibreCat-ID: 45010
Chahal, R., et al. “Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF4 Molten Salt.” JACS Au, vol. 2 (12), 2022, pp. 2693–702, doi:10.1021/jacsau.2c00526.
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2022 | Journal Article | LibreCat-ID: 45008
Taherivardanjani, S., et al. “Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and Its Phosphorus Derivatives.” J. Phys. Chem. A, vol. 126 (40), 2022, pp. 7070–83, doi:10.1021/acs.jpca.2c03133.
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| DOI
2022 | Journal Article | LibreCat-ID: 45009
Frömbgen, T., et al. “Cluster Analysis in Liquids: A Novel Tool in TRAVIS.” J. Chem. Inf. Model., vol. 62 (22), 2022, pp. 5634–44, doi:10.1021/acs.jcim.2c01244.
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| DOI
2022 | Journal Article | LibreCat-ID: 45121
Gokeler, Alli, et al. “Return to Sports after ACL Injury 5 Years from Now: 10 Things We Must Do.” Journal of Experimental Orthopaedics, vol. 9, no. 1, 73, Springer Science and Business Media LLC, 2022, doi:10.1186/s40634-022-00514-7.
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