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166 Publications


2022 | Journal Article | LibreCat-ID: 44231
Schleier D, Gerlach M, Schaffner D, Mukhopadhyay DP, Hemberger P, Fischer I. Threshold photoelectron spectroscopy of trimethylborane and its pyrolysis products. Physical Chemistry Chemical Physics. 2022;25(6):4511-4518. doi:10.1039/d2cp04513c
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2022 | Journal Article | LibreCat-ID: 40988
Weber S, Zimmermann RT, Bremer J, et al. Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem. 2022;14(8). doi:10.1002/cctc.202101878
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2021 | Journal Article | LibreCat-ID: 30208
Do HT, Franke P, Volpert S, Klinksiek M, Thome M, Held C. Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions. Physical Chemistry Chemical Physics. 2021;23(18):10852-10863. doi:10.1039/d1cp00005e
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2021 | Journal Article | LibreCat-ID: 31022
Abdelaty MSA, Kuckling D. 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. 2021;299(10):1617-1629. doi: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. Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids. The Journal of Physical Chemistry A. 2021;125(3):867-874. doi:10.1021/acs.jpca.0c11296
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2021 | Journal Article | LibreCat-ID: 33648
Ghasemi A, Kühne T. Artificial neural networks for the kinetic energy functional of non-interacting fermions. The Journal of Chemical Physics. 2021;154(7). doi:10.1063/5.0037319
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2021 | Journal Article | LibreCat-ID: 33651
Sahoo SK, Teixeira IF, Naik A, et al. Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials. The Journal of Physical Chemistry C. 2021;125(25):13749-13758. doi:10.1021/acs.jpcc.1c03947
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2021 | Journal Article | LibreCat-ID: 35687
Zhou R, Paradies J. Borane Catalyzed Redox Isomerization of 2‐Amino Chalcones: Hydride Abstraction or Hydride Migration? European Journal of Organic Chemistry. 2021;2021(46):6334-6339. doi:10.1002/ejoc.202100883
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2021 | Journal Article | LibreCat-ID: 40433
Dong C-D, Schumacher S. Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors. The Journal of Physical Chemistry C. 2021;125(40):21824-21830. doi:10.1021/acs.jpcc.1c05666
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2021 | Journal Article | LibreCat-ID: 41324
Maier S, Cronin SP, Vu Dinh M-A, et al. Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations. Organometallics. 2021;40(11):1751-1757. doi:10.1021/acs.organomet.1c00216
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2021 | Journal Article | LibreCat-ID: 41002
Nguyen H-H, Li Z, Enenkel T, et al. 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. 2021;125(27):14627-14635. doi:10.1021/acs.jpcc.1c02074
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2021 | Journal Article | LibreCat-ID: 41012
Winkler M, Schnierle M, Ehrlich F, et al. Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO) 3]+/0. Inorganic Chemistry. 2021;60(5):2856-2865. doi:10.1021/acs.inorgchem.0c03259
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2021 | Journal Article | LibreCat-ID: 41326
Wojtaszek K, Błachucki W, Tyrała K, et al. Determination of Crystal-Field Splitting Induced by Thermal Oxidation of Titanium. The Journal of Physical Chemistry A. 2021;125(1):50-56. doi: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. 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. 2021;24(1):477-487. doi:10.1039/d1cp03321b
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2021 | Journal Article | LibreCat-ID: 29748
Slawig D, Gruschwitz M, Gerstmann U, Rauls E, Tegenkamp C. Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene. The Journal of Physical Chemistry C. 2021;125(36):20087-20093. doi:10.1021/acs.jpcc.1c06320
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2021 | Journal Article | LibreCat-ID: 32240
Chatwell RS, Guevara-Carrion G, Gaponenko Y, Shevtsova V, Vrabec J. Diffusion of the carbon dioxide–ethanol mixture in the extended critical region. Physical Chemistry Chemical Physics. 2021;23(4):3106-3115. doi:10.1039/d0cp04985a
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2021 | Journal Article | LibreCat-ID: 41009
Maier S, Cronin SP, Vu Dinh M-A, et al. Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations. Organometallics. 2021;40(11):1751-1757. doi:10.1021/acs.organomet.1c00216
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 32246
Mirhosseini H, Kormath Madam Raghupathy R, Sahoo SK, Wiebeler H, Chugh M, Kühne TD. In silico investigation of Cu(In,Ga)Se2-based solar cells. Physical Chemistry Chemical Physics. 2020;22(46):26682-26701. doi:10.1039/d0cp04712k
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2020 | Journal Article | LibreCat-ID: 34301
Elgabarty H, Kühne T. Tumbling with a limp: local asymmetry in water’s hydrogen bond network and its consequences. Physical Chemistry Chemical Physics. 2020;22(19):10397-10411. doi:10.1039/c9cp06960g
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2020 | Journal Article | LibreCat-ID: 32491
Trubachev SA, Korobeinichev OP, Karpov AI, et al. The effect of triphenyl phosphate inhibition on flame propagation over cast PMMA slabs. Proceedings of the Combustion Institute. 2020;38(3):4635-4644. doi:10.1016/j.proci.2020.05.043
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