Oberhofer H - Search Results

1

Correction: Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface.

Dupuy R, Filser J, Richter C, Seidel R, Trinter F, Buttersack T, Nicolas C, Bozek J, Hergenhahn U, Oberhofer H, Winter B, Reuter K, Bluhm H. Dupuy R, et al. Among authors: oberhofer h. Phys Chem Chem Phys. 2023 Aug 23;25(33):22538. doi: 10.1039/d3cp90161k. Phys Chem Chem Phys. 2023. PMID: 37555358 Free PMC article.

2

Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface.

Dupuy R, Filser J, Richter C, Seidel R, Trinter F, Buttersack T, Nicolas C, Bozek J, Hergenhahn U, Oberhofer H, Winter B, Reuter K, Bluhm H. Dupuy R, et al. Among authors: oberhofer h. Phys Chem Chem Phys. 2022 Feb 23;24(8):4796-4808. doi: 10.1039/D1CP05621B. Phys Chem Chem Phys. 2022. PMID: 35156668 Free PMC article.

3

Ångstrom-Depth Resolution with Chemical Specificity at the Liquid-Vapor Interface.

Dupuy R, Filser J, Richter C, Buttersack T, Trinter F, Gholami S, Seidel R, Nicolas C, Bozek J, Egger D, Oberhofer H, Thürmer S, Hergenhahn U, Reuter K, Winter B, Bluhm H. Dupuy R, et al. Among authors: oberhofer h. Phys Rev Lett. 2023 Apr 14;130(15):156901. doi: 10.1103/PhysRevLett.130.156901. Phys Rev Lett. 2023. PMID: 37115858

4

First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalysts.

Oberhofer H, Reuter K. Oberhofer H, et al. J Chem Phys. 2013 Jul 28;139(4):044710. doi: 10.1063/1.4816484. J Chem Phys. 2013. PMID: 23902006

5

Critical analysis of fragment-orbital DFT schemes for the calculation of electronic coupling values.

Schober C, Reuter K, Oberhofer H. Schober C, et al. Among authors: oberhofer h. J Chem Phys. 2016 Feb 7;144(5):054103. doi: 10.1063/1.4940920. J Chem Phys. 2016. PMID: 26851904

6

Transferable ionic parameters for first-principles Poisson-Boltzmann solvation calculations: Neutral solutes in aqueous monovalent salt solutions.

Ringe S, Oberhofer H, Reuter K. Ringe S, et al. Among authors: oberhofer h. J Chem Phys. 2017 Apr 7;146(13):134103. doi: 10.1063/1.4978850. J Chem Phys. 2017. PMID: 28390359

7

Virtual Screening for High Carrier Mobility in Organic Semiconductors.

Schober C, Reuter K, Oberhofer H. Schober C, et al. Among authors: oberhofer h. J Phys Chem Lett. 2016 Oct 6;7(19):3973-3977. doi: 10.1021/acs.jpclett.6b01657. Epub 2016 Sep 27. J Phys Chem Lett. 2016. PMID: 27661442

8

Perspective: On the active site model in computational catalyst screening.

Reuter K, Plaisance CP, Oberhofer H, Andersen M. Reuter K, et al. Among authors: oberhofer h. J Chem Phys. 2017 Jan 28;146(4):040901. doi: 10.1063/1.4974931. J Chem Phys. 2017. PMID: 28147553

9

Implicit Solvation Methods for Catalysis at Electrified Interfaces.

Ringe S, Hörmann NG, Oberhofer H, Reuter K. Ringe S, et al. Among authors: oberhofer h. Chem Rev. 2022 Jun 22;122(12):10777-10820. doi: 10.1021/acs.chemrev.1c00675. Epub 2021 Dec 20. Chem Rev. 2022. PMID: 34928131 Free PMC article. Review.

10

Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes.

Filser J, Reuter K, Oberhofer H. Filser J, et al. Among authors: oberhofer h. J Chem Theory Comput. 2022 Jan 11;18(1):461-478. doi: 10.1021/acs.jctc.1c00834. Epub 2021 Dec 22. J Chem Theory Comput. 2022. PMID: 34935366

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