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166 Publications
2024 | Journal Article | LibreCat-ID: 51221
Dong, C.-D., Bauch, F., Hu, Y., & Schumacher, S. (2024). Charge transfer in superbase n-type doping of PCBM induced by deprotonation. Physical Chemistry Chemical Physics, 26(5), 4194–4199. https://doi.org/10.1039/d3cp05105f
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2024 | Journal Article | LibreCat-ID: 52541
Peschtrich, S., Schoch, R., Kuckling, D., & Paradies, J. (2024). A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes. European Journal of Organic Chemistry, 27(8). https://doi.org/10.1002/ejoc.202301207
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2024 | Journal Article | LibreCat-ID: 52534
Bauch, F., Dong, C.-D., & Schumacher, S. (2024). Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers. The Journal of Physical Chemistry C, 128(8), 3525–3532. https://doi.org/10.1021/acs.jpcc.3c07513
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2024 | Journal Article | LibreCat-ID: 50726
Schuster, L., Olfert, V., Sherepenko, O., Fehrenbach, C., Song, S., Hein, D., Meschut, G., Biro, E., & Münstermann, S. (2024). Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints. Steel Research International. https://doi.org/10.1002/srin.202300530
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2023 | Journal Article | LibreCat-ID: 43391
Paul, A., Baumhögger, E., Dewerth, M.-O., Hami Dindar, I., Sonnenrein, G., & Vrabec, J. (2023). Thermal conductivity of solid paraffins and several n-docosane compounds with graphite. Journal of Thermal Analysis and Calorimetry. https://doi.org/10.1007/s10973-023-12107-2
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2023 | Journal Article | LibreCat-ID: 45828
Duderija, B., González-Orive, A., Ebbert, C., Neßlinger, V., Keller, A., & Grundmeier, G. (2023). Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy. Molecules, 28(13), 5109. https://doi.org/10.3390/molecules28135109
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2023 | Journal Article | LibreCat-ID: 46480
Müller, H., Weinberger, C., Grundmeier, G., & de los Arcos de Pedro, M. T. (2023). UV-enhanced environmental charge compensation in near ambient pressure XPS. Journal of Electron Spectroscopy and Related Phenomena, 264, Article 147317. https://doi.org/10.1016/j.elspec.2023.147317
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2023 | Journal Article | LibreCat-ID: 46542
Huang, J., Qiu, Y., Lücke, F., Su, J., Grundmeier, G., & Keller, A. (2023). Multiprotein Adsorption from Human Serum at Gold and Oxidized Iron Surfaces Studied by Atomic Force Microscopy and Polarization-Modulation Infrared Reflection Absorption Spectroscopy. Molecules, 28(16), Article 6060. https://doi.org/10.3390/molecules28166060
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2023 | Journal Article | LibreCat-ID: 46543
Pothineni, B. K., Kollmann, S., Li, X., Grundmeier, G., Erb, D. J., & Keller, A. (2023). Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces. International Journal of Molecular Sciences, 24(16), Article 12808. https://doi.org/10.3390/ijms241612808
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2023 | Journal Article | LibreCat-ID: 48167
Strübbe, S., Nowakowski, M., Schoch, R., & Bauer, M. (2023). High‐Resolution X‐ray Absorption and Emission Spectroscopy for Detailed Analysis of New CO2 Methanation Catalysts. ChemPhysChem. https://doi.org/10.1002/cphc.202300113
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2023 | Journal Article | LibreCat-ID: 48639
Kamer, J., Schleier, D., Donker, M., Hemberger, P., Bodi, A., & Bouwman, J. (2023). Threshold photoelectron spectroscopy and dissociative photoionization of benzonitrile. Physical Chemistry Chemical Physics, 25(42), 29070–29079. https://doi.org/10.1039/d3cp03977c
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2023 | Journal Article | LibreCat-ID: 49356
Moffitt, S. L., Cao, C., Van Hest, M. F. A. M., Schelhas, L. T., Steinrück, H.-G., & Toney, M. F. (2023). Heterogeneous Structural Evolution of In–Zn–O Thin Films during Annealing. The Journal of Physical Chemistry C, 127(47), 23099–23108. https://doi.org/10.1021/acs.jpcc.3c06410
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2023 | Journal Article | LibreCat-ID: 50150
Müller, P., Meta, M., Meidner, J. L., Schwickert, M., Meyr, J., Schwickert, K., Kersten, C., Zimmer, C., Hammerschmidt, S. J., Frey, A., Lahu, A., de la Hoz-Rodríguez, S., Agost-Beltrán, L., Rodríguez, S., Diemer, K., Neumann, W., Gonzàlez, F. V., Engels, B., & Schirmeister, T. (2023). Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study. International Journal of Molecular Sciences, 24(8), Article 7226. https://doi.org/10.3390/ijms24087226
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2023 | Journal Article | LibreCat-ID: 46023
Duderija, B., González-Orive, A., Ebbert, C., Neßlinger, V., Keller, A., & Grundmeier, G. (2023). Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy. Molecules, 28(13), Article 5109. https://doi.org/10.3390/molecules28135109
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2023 | Journal Article | LibreCat-ID: 52345
Kitzmann, W. R., Hunger, D., Reponen, A.-P. M., Förster, C., Schoch, R., Bauer, M., Feldmann, S., van Slageren, J., & Heinze, K. (2023). Electronic Structure and Excited-State Dynamics of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby. Inorganic Chemistry, 62(39), 15797–15808. https://doi.org/10.1021/acs.inorgchem.3c02186
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2023 | Journal Article | LibreCat-ID: 52344
Ziegler, F., Bruckner, J. R., Nowakowski, M., Bauer, M., Probst, P., Atwi, B., & Buchmeiser, M. R. (2023). Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene N‐Heterocyclic Carbene Complexes. ChemCatChem, 15(21). https://doi.org/10.1002/cctc.202300871
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2023 | Journal Article | LibreCat-ID: 49608
Fritsch, L., Vukadinovic, Y., Lang, M., Naumann, R., Bertrams, M.-S., Kruse, A., Schoch, R., Müller, P., Neuba, A., Dierks, P., Lochbrunner, S., Kerzig, C., Heinze, K., & Bauer, M. (2023). Chemical and photophysical properties of amine functionalized bis‐NHC‐pyridine‐RuII complexes. ChemPhotoChem. https://doi.org/10.1002/cptc.202300281
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2023 | Journal Article | LibreCat-ID: 53078
Apazeller, S., Gonchikzhapov, M., Nanjaiah, M., Kasper, T., Wlokas, I., Wiggers, H., & Schulz, C. (2023). A new dual matrix burner for one-dimensional investigation of aerosol flames. Proceedings of the Combustion Institute, 39(1), 909–918. https://doi.org/10.1016/j.proci.2022.07.166
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2023 | Journal Article | LibreCat-ID: 36812
Apazeller, S., Gonchikzhapov, M., Nanjaiah, M., Kasper, T., Wlokas, I., Wiggers, H., & Schulz, C. (2023). A new dual matrix burner for one-dimensional investigation of aerosol flames. Proceedings of the Combustion Institute. https://doi.org/10.1016/j.proci.2022.07.166
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2022 | Journal Article | LibreCat-ID: 30209
Hanke, M., Hansen, N., Chen, R., Grundmeier, G., Fahmy, K., & Keller, A. (2022). Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate. International Journal of Molecular Sciences, 23(5), 2817. https://doi.org/10.3390/ijms23052817
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2022 | Journal Article | LibreCat-ID: 32589
Hanke, M., Hansen, N., Tomm, E., Grundmeier, G., & Keller, A. (2022). Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate. International Journal of Molecular Sciences, 23(15), 8547. https://doi.org/10.3390/ijms23158547
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2022 | Journal Article | LibreCat-ID: 33690
Ibaceta-Jaña, J., Chugh, M., Novikov, A. S., Mirhosseini, H., Kühne, T., Szyszka, B., Wagner, M. R., & Muydinov, R. (2022). Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds? The Journal of Physical Chemistry C, 126(38), 16215–16226. https://doi.org/10.1021/acs.jpcc.2c02984
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2022 | Journal Article | LibreCat-ID: 36810
Knyazkov, D. A., Cherepanov, A. V., Kiselev, V. G., Gerasimov, I. E., Kasper, T., & Shmakov, A. G. (2022). Experimental and kinetic modeling study of the positive ions in premixed ethylene flames over a range of equivalence ratios. Proceedings of the Combustion Institute. https://doi.org/10.1016/j.proci.2022.07.157
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2022 | Journal Article | LibreCat-ID: 36811
Kaczmarek, D., Rudolph, C., Atakan, B., & Kasper, T. (2022). Kinetic investigation of the ozone-assisted partial oxidation of fuel-rich natural gas mixtures at elevated pressure. Proceedings of the Combustion Institute. https://doi.org/10.1016/j.proci.2022.07.195
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2022 | Journal Article | LibreCat-ID: 36813
Bierkandt, T., Hemberger, P., Oßwald, P., Gaiser, N., Hoener, M., Krüger, D., Kasper, T., & Köhler, M. (2022). A combustion chemistry study of tetramethylethylene in a laminar premixed low-pressure hydrogen flame. Proceedings of the Combustion Institute. https://doi.org/10.1016/j.proci.2022.07.205
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2022 | Journal Article | LibreCat-ID: 40988
Weber, S., Zimmermann, R. T., Bremer, J., Abel, K. L., Poppitz, D., Prinz, N., Ilsemann, J., Wendholt, S., Yang, Q., Pashminehazar, R., Monaco, F., Cloetens, P., Huang, X., Kübel, C., Kondratenko, E., Bauer, M., Bäumer, M., Zobel, M., Gläser, R., … Sheppard, T. L. (2022). Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3Reference Catalyst for CO2Methanation. ChemCatChem, 14(8). https://doi.org/10.1002/cctc.202101878
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2022 | Journal Article | LibreCat-ID: 41208
Weber, S., Zimmermann, R. T., Bremer, J., Abel, K. L., Poppitz, D., Prinz, N., Ilsemann, J., Strübbe, S., Yang, Q., Pashminehazar, R., Monaco, F., Cloetens, P., Huang, X., Kübel, C., Kondratenko, E., Bauer, M., Bäumer, M., Zobel, M., Gläser, R., … Sheppard, T. L. (2022). Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3Reference Catalyst for CO2Methanation. ChemCatChem, 14(8). https://doi.org/10.1002/cctc.202101878
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2022 | Journal Article | LibreCat-ID: 40425
Bathe, T., Dong, C.-D., & Schumacher, S. (2022). Microscopic Study of Molecular Double Doping. The Journal of Physical Chemistry A, 126(13), 2075–2081. https://doi.org/10.1021/acs.jpca.1c09179
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2022 | Journal Article | LibreCat-ID: 30678
Javed, M. A., Vater, S., Baumhögger, E., Windmann, T., & Vrabec, J. (2022). Apparatus for the measurement of the thermodynamic speed of sound of diethylene glycol and triethylene glycol. The Journal of Chemical Thermodynamics, Article 106766. https://doi.org/10.1016/j.jct.2022.106766
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2022 | Journal Article | LibreCat-ID: 33255
Betken, B., Beckmüller, R., Ali Javed, M., Baumhögger, E., Span, R., Vrabec, J., & Thol, M. (2022). Thermodynamic Properties for 1-Hexene – Measurements and Modeling. The Journal of Chemical Thermodynamics, Article 106881. https://doi.org/10.1016/j.jct.2022.106881
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2022 | Journal Article | LibreCat-ID: 40987
Schlicher, S., Prinz, N., Bürger, J., Omlor, A., Singer, C., Zobel, M., Schoch, R., Lindner, J. K. N., Schünemann, V., Kureti, S., & Bauer, M. (2022). Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation. Catalysts, 12(6), Article 675. https://doi.org/10.3390/catal12060675
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2022 | Journal Article | LibreCat-ID: 44231
Schleier, D., Gerlach, M., Schaffner, D., Mukhopadhyay, D. P., Hemberger, P., & Fischer, I. (2022). Threshold photoelectron spectroscopy of trimethylborane and its pyrolysis products. Physical Chemistry Chemical Physics, 25(6), 4511–4518. https://doi.org/10.1039/d2cp04513c
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2021 | Journal Article | LibreCat-ID: 30208
Do, H. T., Franke, P., Volpert, S., Klinksiek, M., Thome, M., & Held, C. (2021). Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions. Physical Chemistry Chemical Physics, 23(18), 10852–10863. https://doi.org/10.1039/d1cp00005e
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2021 | Journal Article | LibreCat-ID: 31022
Abdelaty, M. S. A., & Kuckling, D. (2021). Altering of lower critical solution temperature of environmentally responsive poly (N-isopropylacrylamide-co-acrylic acid-co-vanillin acrylate) affected by acrylic acid, vanillin acrylate, and post-polymerization modification. Colloid and Polymer Science, 299(10), 1617–1629. https://doi.org/10.1007/s00396-021-04882-x
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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
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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
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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
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2021 | Journal Article | LibreCat-ID: 35687
Zhou, R., & Paradies, J. (2021). Borane Catalyzed Redox Isomerization of 2‐Amino Chalcones: Hydride Abstraction or Hydride Migration? European Journal of Organic Chemistry, 2021(46), 6334–6339. https://doi.org/10.1002/ejoc.202100883
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2021 | Journal Article | LibreCat-ID: 40433
Dong, C.-D., & Schumacher, S. (2021). Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors. The Journal of Physical Chemistry C, 125(40), 21824–21830. https://doi.org/10.1021/acs.jpcc.1c05666
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2021 | Journal Article | LibreCat-ID: 41324
Maier, S., Cronin, S. P., Vu Dinh, M.-A., Li, Z., Dyballa, M., Nowakowski, M., Bauer, M., & Estes, D. P. (2021). Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations. Organometallics, 40(11), 1751–1757. https://doi.org/10.1021/acs.organomet.1c00216
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2021 | Journal Article | LibreCat-ID: 41002
Nguyen, H.-H., Li, Z., Enenkel, T., Hildebrand, J., Bauer, M., Dyballa, M., & Estes, D. P. (2021). Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation. The Journal of Physical Chemistry C, 125(27), 14627–14635. https://doi.org/10.1021/acs.jpcc.1c02074
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2021 | Journal Article | LibreCat-ID: 41012
Winkler, M., Schnierle, M., Ehrlich, F., Mehnert, K.-I., Hunger, D., Sheveleva, A. M., Burkhardt, L., Bauer, M., Tuna, F., Ringenberg, M. R., & van Slageren, J. (2021). Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO) 3]+/0. Inorganic Chemistry, 60(5), 2856–2865. https://doi.org/10.1021/acs.inorgchem.0c03259
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2021 | Journal Article | LibreCat-ID: 41009
Maier, S., Cronin, S. P., Vu Dinh, M.-A., Li, Z., Dyballa, M., Nowakowski, M., Bauer, M., & Estes, D. P. (2021). Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations. Organometallics, 40(11), 1751–1757. https://doi.org/10.1021/acs.organomet.1c00216
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2021 | Journal Article | LibreCat-ID: 41326
Wojtaszek, K., Błachucki, W., Tyrała, K., Nowakowski, M., Zaja̧c, M., Stȩpień, J., Jagodziński, P., Banaś, D., Stańczyk, W., Czapla-Masztafiak, J., Kwiatek, W. M., Szlachetko, J., & Wach, A. (2021). Determination of Crystal-Field Splitting Induced by Thermal Oxidation of Titanium. The Journal of Physical Chemistry A, 125(1), 50–56. https://doi.org/10.1021/acs.jpca.0c07955
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2021 | Journal Article | LibreCat-ID: 35326
Keil, W., Zhao, K., Oswald, A., Bremser, W., Schmidt, C., & Hintze-Bruening, H. (2021). Thermostable water reservoirs in the interlayer space of a sodium hectorite clay through the intercalation of γ-aminopropyl(dimethyl)ethoxysilane in toluene. Physical Chemistry Chemical Physics, 24(1), 477–487. https://doi.org/10.1039/d1cp03321b
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2021 | Journal Article | LibreCat-ID: 29748
Slawig, D., Gruschwitz, M., Gerstmann, U., Rauls, E., & Tegenkamp, C. (2021). Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene. The Journal of Physical Chemistry C, 125(36), 20087–20093. https://doi.org/10.1021/acs.jpcc.1c06320
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2021 | Journal Article | LibreCat-ID: 32240
Chatwell, R. S., Guevara-Carrion, G., Gaponenko, Y., Shevtsova, V., & Vrabec, J. (2021). Diffusion of the carbon dioxide–ethanol mixture in the extended critical region. Physical Chemistry Chemical Physics, 23(4), 3106–3115. https://doi.org/10.1039/d0cp04985a
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2020 | Journal Article | LibreCat-ID: 32246
Mirhosseini, H., Kormath Madam Raghupathy, R., Sahoo, S. K., Wiebeler, H., Chugh, M., & Kühne, T. D. (2020). In silico investigation of Cu(In,Ga)Se2-based solar cells. Physical Chemistry Chemical Physics, 22(46), 26682–26701. https://doi.org/10.1039/d0cp04712k
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2020 | Journal Article | LibreCat-ID: 34301
Elgabarty, H., & Kühne, T. (2020). Tumbling with a limp: local asymmetry in water’s hydrogen bond network and its consequences. Physical Chemistry Chemical Physics, 22(19), 10397–10411. https://doi.org/10.1039/c9cp06960g
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2020 | Journal Article | LibreCat-ID: 32491
Trubachev, S. A., Korobeinichev, O. P., Karpov, A. I., Shaklein, A. A., Glaznev, R. K., Gonchikzhapov, M. B., Paletsky, A. A., Tereshchenko, A. G., Shmakov, A. G., Bespalova, A. S., Yuan, H., Xin, W., & Weizhao, H. (2020). The effect of triphenyl phosphate inhibition on flame propagation over cast PMMA slabs. Proceedings of the Combustion Institute, 38(3), 4635–4644. https://doi.org/10.1016/j.proci.2020.05.043
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