A combustion chemistry study of tetramethylethylene in a laminar premixed low-pressure hydrogen flame
T. Bierkandt, P. Hemberger, P. Oßwald, N. Gaiser, M. Hoener, D. Krüger, T. Kasper, M. Köhler, Proceedings of the Combustion Institute (2022).
LibreCat: /record/36813
DOI: 10.1016/j.proci.2022.07.205

Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al<sub>2</sub>O<sub>3</sub>Reference Catalyst for CO<sub>2</sub>Methanation
S. Weber, R.T. Zimmermann, J. Bremer, K.L. Abel, D. Poppitz, N. Prinz, J. Ilsemann, S. Strübbe, Q. Yang, R. Pashminehazar, F. Monaco, P. Cloetens, X. Huang, C. Kübel, E. Kondratenko, M. Bauer, M. Bäumer, M. Zobel, R. Gläser, K. Sundmacher, T.L. Sheppard, ChemCatChem 14 (2022).
LibreCat: /record/41208
DOI: 10.1002/cctc.202101878

Quantum generalizations of the polynomial hierarchy with applications to QMA(2)
S. Gharibian, M. Santha, J. Sikora, A. Sundaram, J. Yirka, Computational Complexity 31 (2022).
LibreCat: /record/34700
DOI: 10.1007/s00037-022-00231-8

Microscopic Study of Molecular Double Doping
T. Bathe, C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry A 126 (2022) 2075–2081.
LibreCat: /record/40425
DOI: 10.1021/acs.jpca.1c09179

Apparatus for the measurement of the thermodynamic speed of sound of diethylene glycol and triethylene glycol
M.A. Javed, S. Vater, E. Baumhögger, T. Windmann, J. Vrabec, The Journal of Chemical Thermodynamics (2022).
LibreCat: /record/30678
DOI: 10.1016/j.jct.2022.106766

Thermodynamic Properties for 1-Hexene – Measurements and Modeling
B. Betken, R. Beckmüller, M. Ali Javed, E. Baumhögger, R. Span, J. Vrabec, M. Thol, The Journal of Chemical Thermodynamics (2022).
LibreCat: /record/33255
DOI: 10.1016/j.jct.2022.106881

Even Factors in Edge-Chromatic-Critical Graphs with a Small Number of Divalent Vertices
E. Steffen, I.H. Wolf, Graphs and Combinatorics 38 (2022).
LibreCat: /record/31543
DOI: 10.1007/s00373-022-02506-x
arXiv: 2109.11447

A parameterized view on the complexity of dependence and independence logic
J. Kontinen, A. Meier, Y. Mahmood, Journal of Logic and Computation 32 (2022) 1624–1644.
LibreCat: /record/45847
DOI: 10.1093/logcom/exac070

Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms
R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst, S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022).
LibreCat: /record/33684
DOI: 10.1016/j.parco.2022.102920

Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation
S. Schlicher, N. Prinz, J. Bürger, A. Omlor, C. Singer, M. Zobel, R. Schoch, J.K.N. Lindner, V. Schünemann, S. Kureti, M. Bauer, Catalysts 12 (2022).
LibreCat: /record/40987
DOI: 10.3390/catal12060675

Threshold photoelectron spectroscopy of trimethylborane and its pyrolysis products
D. Schleier, M. Gerlach, D. Schaffner, D.P. Mukhopadhyay, P. Hemberger, I. Fischer, Physical Chemistry Chemical Physics 25 (2022) 4511–4518.
LibreCat: /record/44231
DOI: 10.1039/d2cp04513c

Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation
S. Weber, R.T. Zimmermann, J. Bremer, K.L. Abel, D. Poppitz, N. Prinz, J. Ilsemann, S. Wendholt, Q. Yang, R. Pashminehazar, F. Monaco, P. Cloetens, X. Huang, C. Kübel, E. Kondratenko, M. Bauer, M. Bäumer, M. Zobel, R. Gläser, K. Sundmacher, T.L. Sheppard, ChemCatChem 14 (2022).
LibreCat: /record/40988
DOI: 10.1002/cctc.202101878

Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions
H.T. Do, P. Franke, S. Volpert, M. Klinksiek, M. Thome, C. Held, Physical Chemistry Chemical Physics 23 (2021) 10852–10863.
LibreCat: /record/30208
DOI: 10.1039/d1cp00005e

Exploiting Hardware-Based Data-Parallel and Multithreading Models for Smart Edge Computing in Reconfigurable FPGAs
A. Rodriguez, A. Otero, M. Platzner, E. De la Torre, IEEE Transactions on Computers (2021) 1–1.
LibreCat: /record/30907
DOI: 10.1109/tc.2021.3107196

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.
LibreCat: /record/31022
DOI: 10.1007/s00396-021-04882-x

Nowhere-zero 3-flows in toroidal graphs
J. Li, Y. Ma, Z. Miao, Y. Shi, W. Wang, C.-Q. Zhang, Journal of Combinatorial Theory, Series B 153 (2021) 61–80.
LibreCat: /record/34042
DOI: 10.1016/j.jctb.2021.11.001

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: /record/33644
DOI: 10.1021/acs.jpca.0c11296

Artificial neural networks for the kinetic energy functional of non-interacting fermions
A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021).
LibreCat: /record/33648
DOI: 10.1063/5.0037319

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: /record/33651
DOI: 10.1021/acs.jpcc.1c03947

Collaborating with Virtual Assistants in Organizations: Analyzing Social Loafing Tendencies and Responsibility Attribution
S. Stieglitz, M. Mirbabaie, N.R.J. Möllmann, J. Rzyski, Information Systems Frontiers 24 (2021) 745–770.
LibreCat: /record/37146
DOI: 10.1007/s10796-021-10201-0