Publications


Showing entries 1 - 20 out of 59

2025


2024


Malagarriga Pérez M, González L. Binding modes of a flexible ruthenium polypyridyl complex to DNA. Physical Chemistry Chemical Physics. 2024 Oct 11;26(42):27116-27130. doi: 10.1039/d4cp02782e

González L, Reiher M, Rice J. Tribute to Roland Lindh. The journal of physical chemistry. A. 2024 Apr 25;128(16):3047-3048. doi: 10.1021/acs.jpca.4c01499

Franz J, Oelschlegel M, Zobel JP, Hua SA, Borter JH, Schmid L et al. Bifurcation of Excited-State Population Leads to Anti-Kasha Luminescence in a Disulfide-Decorated Organometallic Rhenium Photosensitizer. Journal of the American Chemical Society. 2024 Apr;146(16):11272–11288. doi: 10.1021/jacs.4c00548

2023


Reiner MM, Bachmair B, Tiefenbacher MX, Mai S, González L, Marquetand P et al. Nonadiabatic Forward Flux Sampling for Excited-State Rare Events. Journal of Chemical Theory and Computation. 2023 Mar 28;19(6):1657–1671. doi: 10.1021/acs.jctc.2c01088, 10.48550/arXiv.2208.00686

Sinambela N, Jacobi R, Hernández-Castillo D, Hofmeister E, Hagmeyer N, Dietzek-Ivanšić B et al. Alignment and photooxidation dynamics of a perylene diimide chromophore in lipid bilayers. Molecular Systems Design and Engineering. 2023 Feb 22;8(7):842-852. doi: 10.1039/d2me00243d

2022


Bachmair B, Reiner MM, Tiefenbacher MX, Marquetand P. Recent advances in machine learning for electronic excited state molecular dynamics simulations. In Bahmann H, Tremblay JC, editors, Chemical Modelling: Volume 17. Vol. 17. Royal Society of Chemistry. 2022. p. 178-200 doi: 10.1039/9781839169342

Cseh K, Geisler H, Stanojkovska K, Westermayr J, Brunmayr P, Wenisch D et al. Arene Variation of Highly Cytotoxic Tridentate Naphthoquinone-Based Ruthenium(II) Complexes and In-Depth In Vitro Studies. Pharmaceutics. 2022 Nov;14(11):2466. doi: 10.3390/pharmaceutics14112466

Showing entries 1 - 20 out of 59