Reuter K - Search Results

1

True Nature of the Transition-Metal Carbide/Liquid Interface Determines Its Reactivity.

Griesser C, Li H, Wernig EM, Winkler D, Shakibi Nia N, Mairegger T, Götsch T, Schachinger T, Steiger-Thirsfeld A, Penner S, Wielend D, Egger D, Scheurer C, Reuter K, Kunze-Liebhäuser J. Griesser C, et al. Among authors: reuter k. ACS Catal. 2021 Apr 16;11(8):4920-4928. doi: 10.1021/acscatal.1c00415. Epub 2021 Apr 7. ACS Catal. 2021. PMID: 33898080 Free PMC article.

2

Implications of Occupational Disorder on Ion Mobility in Li₄Ti₅O₁₂ Battery Materials.

Heenen HH, Scheurer C, Reuter K. Heenen HH, et al. Among authors: reuter k. Nano Lett. 2017 Jun 14;17(6):3884-3888. doi: 10.1021/acs.nanolett.7b01400. Epub 2017 May 22. Nano Lett. 2017. PMID: 28514174

3

Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated Hydrocarbons.

Liu Z, Timmermann J, Reuter K, Scheurer C. Liu Z, et al. Among authors: reuter k. J Phys Chem B. 2018 Jan 18;122(2):770-779. doi: 10.1021/acs.jpcb.7b06709. Epub 2017 Sep 18. J Phys Chem B. 2018. PMID: 28832148

4

Efficient Implicit Solvation Method for Full Potential DFT.

Sinstein M, Scheurer C, Matera S, Blum V, Reuter K, Oberhofer H. Sinstein M, et al. Among authors: reuter k. J Chem Theory Comput. 2017 Nov 14;13(11):5582-5603. doi: 10.1021/acs.jctc.7b00297. Epub 2017 Oct 13. J Chem Theory Comput. 2017. PMID: 28910530

5

Addressing global uncertainty and sensitivity in first-principles based microkinetic models by an adaptive sparse grid approach.

Döpking S, Plaisance CP, Strobusch D, Reuter K, Scheurer C, Matera S. Döpking S, et al. Among authors: reuter k. J Chem Phys. 2018 Jan 21;148(3):034102. doi: 10.1063/1.5004770. J Chem Phys. 2018. PMID: 29352783

6

Multi-ion Conduction in Li₃OCl Glass Electrolytes.

Heenen HH, Voss J, Scheurer C, Reuter K, Luntz AC. Heenen HH, et al. Among authors: reuter k. J Phys Chem Lett. 2019 May 2;10(9):2264-2269. doi: 10.1021/acs.jpclett.9b00500. Epub 2019 Apr 23. J Phys Chem Lett. 2019. PMID: 30995402

7

Interface between graphene and liquid Cu from molecular dynamics simulations.

Cingolani JS, Deimel M, Köcher S, Scheurer C, Reuter K, Andersen M. Cingolani JS, et al. Among authors: reuter k. J Chem Phys. 2020 Aug 21;153(7):074702. doi: 10.1063/5.0020126. J Chem Phys. 2020. PMID: 32828114

8

IrO_{2} Surface Complexions Identified through Machine Learning and Surface Investigations.

Timmermann J, Kraushofer F, Resch N, Li P, Wang Y, Mao Z, Riva M, Lee Y, Staacke C, Schmid M, Scheurer C, Parkinson GS, Diebold U, Reuter K. Timmermann J, et al. Among authors: reuter k. Phys Rev Lett. 2020 Nov 13;125(20):206101. doi: 10.1103/PhysRevLett.125.206101. Phys Rev Lett. 2020. PMID: 33258623

9

Data-efficient iterative training of Gaussian approximation potentials: Application to surface structure determination of rutile IrO₂ and RuO₂.

Timmermann J, Lee Y, Staacke CG, Margraf JT, Scheurer C, Reuter K. Timmermann J, et al. Among authors: reuter k. J Chem Phys. 2021 Dec 28;155(24):244107. doi: 10.1063/5.0071249. J Chem Phys. 2021. PMID: 34972361

10

Epitaxial Core-Shell Oxide Nanoparticles: First-Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen Evolution.

Lee Y, Scheurer C, Reuter K. Lee Y, et al. Among authors: reuter k. ChemSusChem. 2022 May 20;15(10):e202200015. doi: 10.1002/cssc.202200015. Epub 2022 Apr 13. ChemSusChem. 2022. PMID: 35293136 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

495 results

Search Page

Filters