Mai S - Search Results

1

Not the usual suspect - an unexpected organometallic product during the synthesis of cytotoxic platinum(II) complexes.

Maier T, Wutschitz J, Gajic N, Hejl M, Cseh K, Mai S, Jakupec MA, Galanski MS, Keppler BK. Maier T, et al. Among authors: mai s. Dalton Trans. 2023 Nov 14;52(44):16326-16335. doi: 10.1039/d3dt01736b. Dalton Trans. 2023. PMID: 37855721

2

Excited states of ortho-nitrobenzaldehyde as a challenging case for single- and multi-reference electronic structure theory.

Vörös D, Mai S. Vörös D, et al. Among authors: mai s. J Comput Chem. 2023 May 30;44(14):1381-1394. doi: 10.1002/jcc.27093. Epub 2023 Feb 24. J Comput Chem. 2023. PMID: 36825673

3

Role of Ultrafast Internal Conversion and Intersystem Crossing in the Nonadiabatic Relaxation Dynamics of ortho-Nitrobenzaldehyde.

Vörös D, Mai S. Vörös D, et al. Among authors: mai s. J Phys Chem A. 2023 Jul 20;127(28):5872-5886. doi: 10.1021/acs.jpca.3c02899. Epub 2023 Jul 5. J Phys Chem A. 2023. PMID: 37405967 Free PMC article.

4

Photoelectron spectra of 2-thiouracil, 4-thiouracil, and 2,4-dithiouracil.

Ruckenbauer M, Mai S, Marquetand P, González L. Ruckenbauer M, et al. Among authors: mai s. J Chem Phys. 2016 Feb 21;144(7):074303. doi: 10.1063/1.4941948. J Chem Phys. 2016. PMID: 26896982

5

Nonadiabatic dynamics: The SHARC approach.

Mai S, Marquetand P, González L. Mai S, et al. Wiley Interdiscip Rev Comput Mol Sci. 2018 Nov-Dec;8(6):e1370. doi: 10.1002/wcms.1370. Epub 2018 May 9. Wiley Interdiscip Rev Comput Mol Sci. 2018. PMID: 30450129 Free PMC article. Review.

6

Unconventional two-step spin relaxation dynamics of [Re(CO)₃(im)(phen)]⁺ in aqueous solution.

Mai S, González L. Mai S, et al. Chem Sci. 2019 Sep 27;10(44):10405-10411. doi: 10.1039/c9sc03671g. eCollection 2019 Nov 28. Chem Sci. 2019. PMID: 32110331 Free PMC article.

7

Jahn-Teller Effects in a Vanadate-Stabilized Manganese-Oxo Cubane Water Oxidation Catalyst.

Mai S, Holzer M, Andreeva A, González L. Mai S, et al. Chemistry. 2021 Dec 6;27(68):17066-17077. doi: 10.1002/chem.202102539. Epub 2021 Nov 5. Chemistry. 2021. PMID: 34643965 Free PMC article.

8

Interplay between protonation and Jahn-Teller effects in a manganese vanadium cubane water oxidation catalyst.

Tippner S, Lechner P, González L, Mai S. Tippner S, et al. Among authors: mai s. J Chem Phys. 2024 Feb 28;160(8):084306. doi: 10.1063/5.0189673. J Chem Phys. 2024. PMID: 38411230

9

Resolving Photoinduced Femtosecond Three-Dimensional Solute-Solvent Dynamics through Surface Hopping Simulations.

Polonius S, Lehrner D, González L, Mai S. Polonius S, et al. Among authors: mai s. J Chem Theory Comput. 2024 Jun 11;20(11):4738-4750. doi: 10.1021/acs.jctc.4c00169. Epub 2024 May 20. J Chem Theory Comput. 2024. PMID: 38768386 Free PMC article.

10

Excited-states of a rhenium carbonyl diimine complex: solvation models, spin-orbit coupling, and vibrational sampling effects.

Mai S, Gattuso H, Fumanal M, Muñoz-Losa A, Monari A, Daniel C, González L. Mai S, et al. Phys Chem Chem Phys. 2017 Oct 18;19(40):27240-27250. doi: 10.1039/c7cp05126c. Phys Chem Chem Phys. 2017. PMID: 28984331

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