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1254 Publications


2021 | Journal Article | LibreCat-ID: 31022
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
M.S.A. Abdelaty, D. Kuckling, Colloid and Polymer Science 299 (2021) 1617–1629.
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2021 | Journal Article | LibreCat-ID: 31019
Coupling of CO2 and epoxides catalysed by novel N-fused mesoionic carbene complexes of nickel(ii)
F.A. Watt, B. Sieland, N. Dickmann, R. Schoch, R. Herbst-Irmer, H. Ott, J. Paradies, D. Kuckling, S. Hohloch, Dalton Transactions 50 (2021) 17361–17371.
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2021 | Journal Article | LibreCat-ID: 23702
Continuous Flow Synthesis of Azoxybenzenes by Reductive Dimerization of Nitrosobenzenes with Gel‐Bound Catalysts
C.J. Schmiegel, P. Berg, F. Obst, R. Schoch, D. Appelhans, D. Kuckling, European Journal of Organic Chemistry (2021) 1628–1636.
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2021 | Journal Article | LibreCat-ID: 23696
Backbone vs. side-chain: two light-degradable polyurethanes based on 6-nitropiperonal
D. Jung, T. Rust, K. Völlmecke, T. Schoppa, K. Langer, D. Kuckling, Polymer Chemistry 12 (2021) 4565–4575.
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2021 | Journal Article | LibreCat-ID: 23698
Dually cross-linked single networks: structures and applications
M. Rodin, J. Li, D. Kuckling, Chemical Society Reviews 50 (2021) 8147–8177.
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2021 | Journal Article | LibreCat-ID: 33653
Mixed‐Valence Compounds as Polarizing Agents for Overhauser Dynamic Nuclear Polarization in Solids
A. Gurinov, B. Sieland, A. Kuzhelev, H. Elgabarty, T. Kühne, T. Prisner, J. Paradies, M. Baldus, K.L. Ivanov, S. Pylaeva, Angewandte Chemie International Edition 60 (2021) 15371–15375.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 34647
Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions
T. Brögelmann, K. Bobzin, G. Grundmeier, T. de los Arcos, N.C. Kruppe, S. Schwiderek, M. Carlet, Journal of Physics D: Applied Physics 55 (2021).
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 34645
Atomic Layer Deposition of Copper Metal Films from Cu(acac) 2 and Hydroquinone Reductant
T.S. Tripathi, M. Wilken, C. Hoppe, T. de los Arcos, G. Grundmeier, A. Devi, M. Karppinen, Advanced Engineering Materials 23 (2021).
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 29699
Artificial neural networks for the kinetic energy functional of non-interacting fermions
S.A. Ghasemi, T.D. Kühne, The Journal of Chemical Physics 154 (2021) 074107.
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2021 | Conference Paper | LibreCat-ID: 23758 | OA
Augmented Reality als Experimentierhilfe bei Beobachtung und Deutung
H. Peeters, S. Habig, S. Fechner, in: S. Habig (Ed.), Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, 2021, pp. 613–616.
LibreCat | Download (ext.)
 

2021 | Journal Article | LibreCat-ID: 33587
On topological materials as photocatalysts for water splitting by visible light
A. Ranjbar, H. Mirhosseini, T.D. Kühne, Journal of Physics: Materials 5 (2021).
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 33643
When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C2N materials
J.J. Heske, R. Walczak, J.D. Epping, S. Youk, S.K. Sahoo, M. Antonietti, T. Kühne, M. Oschatz, Journal of Materials Chemistry A 9 (2021) 22563–22572.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 33645
Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy
D. Ojha, T. Kühne, Scientific Reports 11 (2021).
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 33644
Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids
S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, H. Elgabarty, The Journal of Physical Chemistry A 125 (2021) 867–874.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 33649
Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo
J. Kessler, F. Calcavecchia, T. Kühne, Advanced Theory and Simulations 4 (2021).
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 33648
Artificial neural networks for the kinetic energy functional of non-interacting fermions
A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021).
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 33655
A combinatorial study of electrochemical anion intercalation into graphite
M. Chugh, M. Jain, G. Wang, A.S. Nia, H. Mirhosseini, T. Kühne, Materials Research Express 8 (2021).
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 33658
Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase
P. Partovi-Azar, T. Kühne, Micromachines 12 (2021).
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 33651
Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials
S.K. Sahoo, I.F. Teixeira, A. Naik, J.J. Heske, D. Cruz, M. Antonietti, A. Savateev, T. Kühne, The Journal of Physical Chemistry C 125 (2021) 13749–13758.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 33657
An automated approach for developing neural network interatomic potentials with FLAME
H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational Materials Science 197 (2021).
LibreCat | DOI
 

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