Marx D - Search Results

1

Dissecting the Molecular Origin of g-Tensor Heterogeneity and Strain in Nitroxide Radicals in Water: Electron Paramagnetic Resonance Experiment versus Theory.

Tran VA, Teucher M, Galazzo L, Sharma B, Pongratz T, Kast SM, Marx D, Bordignon E, Schnegg A, Neese F. Tran VA, et al. Among authors: marx d. J Phys Chem A. 2023 Aug 10;127(31):6447-6466. doi: 10.1021/acs.jpca.3c02879. Epub 2023 Jul 31. J Phys Chem A. 2023. PMID: 37524058 Free PMC article.

2

Structural Sampling and Solvation Models for the Simulation of Electronic Spectra: Pyrazine as a Case Study.

Tsuru S, Sharma B, Marx D, Hättig C. Tsuru S, et al. Among authors: marx d. J Chem Theory Comput. 2023 Apr 25;19(8):2291-2303. doi: 10.1021/acs.jctc.2c01129. Epub 2023 Mar 27. J Chem Theory Comput. 2023. PMID: 36971352

3

Elucidating the Self-cleavage Dynamics of Hairpin Ribozyme by Mode-decomposed Infrared Spectroscopy.

Gulzar A, Noetzel J, Forbert H, Marx D. Gulzar A, et al. Among authors: marx d. J Phys Chem Lett. 2023 Sep 7;14(35):7940-7945. doi: 10.1021/acs.jpclett.3c01724. Epub 2023 Aug 30. J Phys Chem Lett. 2023. PMID: 37646493

4

The accuracy limit of chemical shift predictions for species in aqueous solution.

Maste S, Sharma B, Pongratz T, Grabe B, Hiller W, Erlach MB, Kremer W, Kalbitzer HR, Marx D, Kast SM. Maste S, et al. Among authors: marx d. Phys Chem Chem Phys. 2024 Feb 14;26(7):6386-6395. doi: 10.1039/d3cp05471c. Phys Chem Chem Phys. 2024. PMID: 38315169

5

Revealing the Molecular Origin of Anisotropy around Chloride Ions in Bulk Water.

Jindal A, Schienbein P, Marx D. Jindal A, et al. Among authors: marx d. J Phys Chem Lett. 2024 Mar 21;15(11):3037-3042. doi: 10.1021/acs.jpclett.3c03585. Epub 2024 Mar 11. J Phys Chem Lett. 2024. PMID: 38466241

6

Theoretical terahertz spectroscopy of free radical solutes in solution: an EPR spin probe in water.

Sharma B, Schienbein P, Forbert H, Marx D. Sharma B, et al. Among authors: marx d. Phys Chem Chem Phys. 2024 Nov 13;26(44):27879-27890. doi: 10.1039/d4cp02070g. Phys Chem Chem Phys. 2024. PMID: 39318322

7

Nuclear Quantum Effects Have a Significant Impact on UV/Vis Absorption Spectra of Chromophores in Water.

Tsuru S, Sharma B, Hättig C, Marx D. Tsuru S, et al. Among authors: marx d. Angew Chem Int Ed Engl. 2025 Jan 15;64(3):e202416058. doi: 10.1002/anie.202416058. Epub 2024 Dec 10. Angew Chem Int Ed Engl. 2025. PMID: 39474981

8

Nuclear Quantum Effects in Liquid Water Are Marginal for Its Average Structure but Significant for Dynamics.

Stolte N, Daru J, Forbert H, Behler J, Marx D. Stolte N, et al. Among authors: marx d. J Phys Chem Lett. 2024 Dec 12;15(49):12144-12150. doi: 10.1021/acs.jpclett.4c02925. Epub 2024 Nov 28. J Phys Chem Lett. 2024. PMID: 39607891

9

Ion Effects on Terahertz Spectra of Microsolvated Clusters.

Jindal A, Schienbein P, Gupta PK, Marx D. Jindal A, et al. Among authors: marx d. J Phys Chem Lett. 2024 Dec 19;15(50):12387-12392. doi: 10.1021/acs.jpclett.4c02906. Epub 2024 Dec 10. J Phys Chem Lett. 2024. PMID: 39656154

10

Anisotropic pressure effects on nanoconfined water within narrow graphene slit pores.

Ruiz-Barragan S, Forbert H, Marx D. Ruiz-Barragan S, et al. Among authors: marx d. Phys Chem Chem Phys. 2023 Oct 25;25(41):28119-28129. doi: 10.1039/d3cp01687k. Phys Chem Chem Phys. 2023. PMID: 37818616

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