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1264 Publications
2021 | Journal Article | LibreCat-ID: 23702
Schmiegel, C. J., Berg, P., Obst, F., Schoch, R., Appelhans, D., & Kuckling, D. (2021). Continuous Flow Synthesis of Azoxybenzenes by Reductive Dimerization of Nitrosobenzenes with Gel‐Bound Catalysts. European Journal of Organic Chemistry, 11, 1628–1636. https://doi.org/10.1002/ejoc.202100006
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 23696
Jung, D., Rust, T., Völlmecke, K., Schoppa, T., Langer, K., & Kuckling, D. (2021). Backbone vs. side-chain: two light-degradable polyurethanes based on 6-nitropiperonal. Polymer Chemistry, 12, 4565–4575. https://doi.org/10.1039/d1py00442e
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 23698
Rodin, M., Li, J., & Kuckling, D. (2021). Dually cross-linked single networks: structures and applications. Chemical Society Reviews, 50, 8147–8177. https://doi.org/10.1039/d0cs01585g
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33653
Gurinov, A., Sieland, B., Kuzhelev, A., Elgabarty, H., Kühne, T., Prisner, T., Paradies, J., Baldus, M., Ivanov, K. L., & Pylaeva, S. (2021). Mixed‐Valence Compounds as Polarizing Agents for Overhauser Dynamic Nuclear Polarization in Solids. Angewandte Chemie International Edition, 60(28), 15371–15375. https://doi.org/10.1002/anie.202103215
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 34647
Brögelmann, T., Bobzin, K., Grundmeier, G., de los Arcos, T., Kruppe, N. C., Schwiderek, S., & Carlet, M. (2021). Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions. Journal of Physics D: Applied Physics, 55(3), Article 035204. https://doi.org/10.1088/1361-6463/ac2e31
LibreCat
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2021 | Journal Article | LibreCat-ID: 34645
Tripathi, T. S., Wilken, M., Hoppe, C., de los Arcos, T., Grundmeier, G., Devi, A., & Karppinen, M. (2021). Atomic Layer Deposition of Copper Metal Films from Cu(acac) 2 and Hydroquinone Reductant. Advanced Engineering Materials, 23(10), Article 2100446. https://doi.org/10.1002/adem.202100446
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 29699
Ghasemi, S. A., & Kühne, T. D. (2021). Artificial neural networks for the kinetic energy functional of non-interacting fermions. The Journal of Chemical Physics, 154(7), 074107. https://doi.org/10.1063/5.0037319
LibreCat
| DOI
2021 | Conference Paper | LibreCat-ID: 23758 | 
Peeters, H., Habig, S., & Fechner, S. (2021). Augmented Reality als Experimentierhilfe bei Beobachtung und Deutung. In S. Habig (Ed.), Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch? (Vol. 41, pp. 613–616).
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2021 | Journal Article | LibreCat-ID: 33587
Ranjbar, A., Mirhosseini, H., & Kühne, T. D. (2021). On topological materials as photocatalysts for water splitting by visible light. Journal of Physics: Materials, 5(1), Article 015001. https://doi.org/10.1088/2515-7639/ac363d
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33643
Heske, J. J., Walczak, R., Epping, J. D., Youk, S., Sahoo, S. K., Antonietti, M., Kühne, T., & Oschatz, M. (2021). When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C2N materials. Journal of Materials Chemistry A, 9(39), 22563–22572. https://doi.org/10.1039/d1ta05122a
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| DOI
2021 | Journal Article | LibreCat-ID: 33645
Ojha, D., & Kühne, T. (2021). Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy. Scientific Reports, 11(1), Article 2456. https://doi.org/10.1038/s41598-021-81635-4
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33644
Pylaeva, S., Marx, P., Singh, G., Kühne, T., Roemelt, M., & Elgabarty, H. (2021). Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids. The Journal of Physical Chemistry A, 125(3), 867–874. https://doi.org/10.1021/acs.jpca.0c11296
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33649
Kessler, J., Calcavecchia, F., & Kühne, T. (2021). Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo. Advanced Theory and Simulations, 4(4), Article 2000269. https://doi.org/10.1002/adts.202000269
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33648
Ghasemi, A., & Kühne, T. (2021). Artificial neural networks for the kinetic energy functional of non-interacting fermions. The Journal of Chemical Physics, 154(7), Article 074107. https://doi.org/10.1063/5.0037319
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33655
Chugh, M., Jain, M., Wang, G., Nia, A. S., Mirhosseini, H., & Kühne, T. (2021). A combinatorial study of electrochemical anion intercalation into graphite. Materials Research Express, 8(8), Article 085502. https://doi.org/10.1088/2053-1591/ac1965
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33658
Partovi-Azar, P., & Kühne, T. (2021). Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase. Micromachines, 12(10), Article 1212. https://doi.org/10.3390/mi12101212
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33651
Sahoo, S. K., Teixeira, I. F., Naik, A., Heske, J. J., Cruz, D., Antonietti, M., Savateev, A., & Kühne, T. (2021). Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials. The Journal of Physical Chemistry C, 125(25), 13749–13758. https://doi.org/10.1021/acs.jpcc.1c03947
LibreCat
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2021 | Journal Article | LibreCat-ID: 33657
Mirhosseini, H., Tahmasbi, H., Kuchana, S. R., Ghasemi, A., & Kühne, T. (2021). An automated approach for developing neural network interatomic potentials with FLAME. Computational Materials Science, 197, Article 110567. https://doi.org/10.1016/j.commatsci.2021.110567
LibreCat
| DOI
2021 | Conference Paper | LibreCat-ID: 33654
Balos, V., Elgabarty, H., Wolf, M., Kühne, T., Netz, R., Bonthuis, D. J., Kaliannan, N., Loche, P., Kampfrath, T., & Sajadi, M. (2021). Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields. In M. Razeghi & A. N. Baranov (Eds.), Terahertz Emitters, Receivers, and Applications XII. SPIE. https://doi.org/10.1117/12.2594143
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33656
Wang, M., Ranjbar, A., Kühne, T., Belosludov, R. V., Kawazoe, Y., & Liang, Y. (2021). A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states. Carbon, 181, 370–378. https://doi.org/10.1016/j.carbon.2021.05.026
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