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Interfacial Charge Transfer Influences Thin-Film Polymorphism
The Journal of Physical Chemistry C
2022
126
5
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Filser, Jakob;Reuter, Karsten;Oberhofer, Harald
Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes
Journal of Chemical Theory and Computation
2021
18
1
461-478

Dupuy, Rémi;Filser, Jakob;Richter, Clemens;Seidel, Robert;Trinter, Florian;Buttersack, Tillmann;Nicolas, Christophe;Bozek, John;Hergenhahn, Uwe;Oberhofer, Harald;Winter, Bernd;Reuter, Karsten;Bluhm, Hendrik
Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid–vapor interface
Physical Chemistry Chemical Physics
2022
24
8
4796-4808

Filser, Jakob;Reuter, Karsten;Oberhofer, Harald
Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes
Journal of Chemical Theory and Computation
2021
18
1
461-478

Ringe, Stefan;Hörmann, Nicolas G.;Oberhofer, Harald;Reuter, Karsten
Implicit Solvation Methods for Catalysis at Electrified Interfaces
Chemical Reviews
2021

Kick, Matthias;Scheurer, Christoph;Oberhofer, Harald
Polaron-Assisted Charge Transport in Li-Ion Battery Anode Materials
ACS Applied Energy Materials
2021
4
8
8583-8591

Kunkel, Christian;Margraf, Johannes T.;Chen, Ke;Oberhofer, Harald;Reuter, Karsten
Active discovery of organic semiconductors
Nature Communications
2021
12
1