Charge Regulation at the Nanoscale as Evidenced from Light-Responsive Nanoemulsions

Glikman, D; Wyszynski, L; Lindfeld, V; Hochstädt, S; Hansen, M R; Neugebauer, J; Schönhoff, M; Braunschweig, B; (2024)
In: Journal of the American Chemical Society, 146
Type of Publication: Research article (journal)

Subsystem density-functional theory (update)

Jacob C.R.; Neugebauer J. (2024)
In: WIREs / Wiley Interdisciplinary Reviews: Computational Molecular Science, 14(1)
Type of Publication: Research article (journal)

Light-enabled deracemization of cyclopropanes by Al-salen photocatalysis

Onneken, C.; Morack, T.; Soika, J.; Sokolova, O.; Niemeyer, N.; Mück-Lichtenfeld, C.; Daniliuc, C.G.; Neugebauer, J.; Gilmour, R. (2023)
In: Nature, 621
Type of Publication: Research article (journal)

Erratum: Subsystem-Based GW/Bethe-Salpeter Equation (J. Chem. Theory Comput. (2021) 17:4 (2186−2199) DOI: 10.1021/acs.jctc.0c01307)

Tölle J.; Deilmann T.; Rohlfing M.; Neugebauer J. (2023)
In: Journal of Chemical Theory and Computation, 19, 9, 2699 - 2702, 2699-2702.
Type of Publication: Erratum

On the accuracy of orbital based multi-level approaches for closed-shell transition metal chemistry

Amanollahi Z.; Lampe L.; Bensberg M.; Neugebauer J.; Feldt M. (2023)
In: Physical Chemistry Chemical Physics, 25(6)
Type of Publication: Research article (journal)

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Charge Regulation at the Nanoscale as Evidenced from Light-Responsive Nanoemulsions Glikman, D; Wyszynski, L; Lindfeld, V; Hochstädt, S; Hansen, M R; Neugebauer, J; Schönhoff, M; Braunschweig, B; (2024) In: Journal of the American Chemical Society, 146 Type of Publication: Research article (journal)
Accelerating Analytic-Continuation GW Calculations with a Laplace Transform and Natural Auxiliary Functions Tölle J.; Niemeyer N.; Neugebauer J. (2024) In: Journal of Chemical Theory and Computation, 20(5) Type of Publication: Research article (journal)
Subsystem density-functional theory (update) Jacob C.R.; Neugebauer J. (2024) In: WIREs / Wiley Interdisciplinary Reviews: Computational Molecular Science, 14(1) Type of Publication: Research article (journal)
Triplet Excitation-Energy Transfer Couplings from Subsystem Time-Dependent Density-Functional Theory Käfer S.; Niemeyer N.; Tölle J.; Neugebauer J. (2024) In: Journal of Chemical Theory and Computation, 20(6) Type of Publication: Research article (journal)
Light-enabled deracemization of cyclopropanes by Al-salen photocatalysis Onneken, C.; Morack, T.; Soika, J.; Sokolova, O.; Niemeyer, N.; Mück-Lichtenfeld, C.; Daniliuc, C.G.; Neugebauer, J.; Gilmour, R. (2023) In: Nature, 621 Type of Publication: Research article (journal)
Automatic Generation of Auxiliary Basis Sets in Spherical Representation Using the Cholesky Decomposition Hellmann L.; Neugebauer J. (2023) In: Journal of Physical Chemistry A, 127(41) Type of Publication: Research article (journal)
Erratum: Subsystem-Based GW/Bethe-Salpeter Equation (J. Chem. Theory Comput. (2021) 17:4 (2186−2199) DOI: 10.1021/acs.jctc.0c01307) Tölle J.; Deilmann T.; Rohlfing M.; Neugebauer J. (2023) In: Journal of Chemical Theory and Computation, 19, 9, 2699 - 2702, 2699-2702. Type of Publication: Erratum
Massively parallel fragment-based quantum chemistry for large molecular systems: the serestipy software Eschenbach P.; Niemeyer N.; Neugebauer J. (2023) In: Canadian Journal of Chemistry, 101(9) Type of Publication: Research article (journal)
On the accuracy of orbital based multi-level approaches for closed-shell transition metal chemistry Amanollahi Z.; Lampe L.; Bensberg M.; Neugebauer J.; Feldt M. (2023) In: Physical Chemistry Chemical Physics, 25(6) Type of Publication: Research article (journal)
Sterically Allowed H-type Supramolecular Polymerizations Manha Veedu R.; Niemeyer N.; Bäumer N.; Kartha Kalathil K.; Neugebauer J.; Fernández G. (2023) In: Angewandte Chemie International Edition, 62(49) Type of Publication: Research article (journal)