Kühn O - Search Results

1

Advances in understanding the phosphate binding to soil constituents: A Computational Chemistry perspective.

Ahmed AA, Leinweber P, Kühn O. Ahmed AA, et al. Among authors: kuhn o. Sci Total Environ. 2023 Aug 20;887:163692. doi: 10.1016/j.scitotenv.2023.163692. Epub 2023 May 6. Sci Total Environ. 2023. PMID: 37156390 Review.

2

Computational Design of a DNA- and Fc-Binding Fusion Protein.

Winkler J, Armano G, Dybowski JN, Kuhn O, Ledda F, Heider D. Winkler J, et al. Among authors: kuhn o. Adv Bioinformatics. 2011;2011:457578. doi: 10.1155/2011/457578. Epub 2011 Sep 14. Adv Bioinformatics. 2011. PMID: 21941539 Free PMC article.

3

Shaping the laser control landscape of a hydrogen transfer reaction by vibrational strong coupling. A direct optimal control approach.

Ramos Ramos AR, Fischer EW, Saalfrank P, Kühn O. Ramos Ramos AR, et al. Among authors: kuhn o. J Chem Phys. 2024 Feb 21;160(7):074101. doi: 10.1063/5.0193502. J Chem Phys. 2024. PMID: 38364000

4

Efficient D-π-π-A-Type Dye Sensitizer Based on a Benzothiadiazole Moiety: A Computational Study.

Mustafa FM, Abdel-Latif MK, Abdel-Khalek AA, Kühn O. Mustafa FM, et al. Among authors: kuhn o. Molecules. 2023 Jul 3;28(13):5185. doi: 10.3390/molecules28135185. Molecules. 2023. PMID: 37446847 Free PMC article.

5

A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular Aggregates.

Kaiser A, Daoud RE, Aquilante F, Kühn O, De Vico L, Bokarev SI. Kaiser A, et al. Among authors: kuhn o. J Chem Theory Comput. 2023 May 23;19(10):2918-2928. doi: 10.1021/acs.jctc.3c00185. Epub 2023 Apr 28. J Chem Theory Comput. 2023. PMID: 37115036

6

Formally Exact Simulations of Mesoscale Exciton Diffusion in a Light-Harvesting 2 Antenna Nanoarray.

Varvelo L, Lynd JK, Citty B, Kühn O, Raccah DIGB. Varvelo L, et al. Among authors: kuhn o. J Phys Chem Lett. 2023 Mar 30;14(12):3077-3083. doi: 10.1021/acs.jpclett.3c00086. Epub 2023 Mar 22. J Phys Chem Lett. 2023. PMID: 36947483 Free PMC article.

7

Janus-type emission from a cyclometalated iron(III) complex.

Steube J, Kruse A, Bokareva OS, Reuter T, Demeshko S, Schoch R, Argüello Cordero MA, Krishna A, Hohloch S, Meyer F, Heinze K, Kühn O, Lochbrunner S, Bauer M. Steube J, et al. Among authors: kuhn o. Nat Chem. 2023 Apr;15(4):468-474. doi: 10.1038/s41557-023-01137-w. Epub 2023 Feb 27. Nat Chem. 2023. PMID: 36849804 Free PMC article.

8

Correction: Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(II) complexes.

Dierks P, Kruse A, Bokareva OS, Al-Marri MJ, Kalmbach J, Baltrun M, Neuba A, Schoch R, Hohloch S, Heinze K, Seitz M, Kühn O, Lochbrunner S, Bauer M. Dierks P, et al. Among authors: kuhn o. Chem Commun (Camb). 2023 Mar 7;59(20):2990. doi: 10.1039/d3cc90069j. Chem Commun (Camb). 2023. PMID: 36815296

9

Can range-separated functionals be optimally tuned to predict spectra and excited state dynamics in photoactive iron complexes?

Zobel JP, Kruse A, Baig O, Lochbrunner S, Bokarev SI, Kühn O, González L, Bokareva OS. Zobel JP, et al. Among authors: kuhn o. Chem Sci. 2023 Jan 12;14(6):1491-1502. doi: 10.1039/d2sc05839a. eCollection 2023 Feb 8. Chem Sci. 2023. PMID: 36794199 Free PMC article.

10

Bumble bee colony health and performance vary widely across the urban ecosystem.

Theodorou P, Kühn O, Baltz LM, Wild C, Rasti SL, Bucksch CR, Strohm E, Paxton RJ, Kurze C. Theodorou P, et al. Among authors: kuhn o. J Anim Ecol. 2022 Oct;91(10):2135-2148. doi: 10.1111/1365-2656.13797. Epub 2022 Aug 24. J Anim Ecol. 2022. PMID: 36002939

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