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Jacobi, R., & González, L. (2024). Resonance energy transfer in orthogonally arranged chromophores: a question of molecular representation. Physical Chemistry Chemical Physics, 26(16), 12299-12305. https://doi.org/10.1039/d4cp00420e

Santagati, R., Aspuru-Guzik, A., Babbush, R., Degroote, M., González, L., Kyoseva, E., Moll, N., Oppel, M., Parrish, R. M., Rubin, N. C., Streif, M., Tautermann, C. S., Weiss, H., Wiebe, N., & Utschig-Utschig, C. (2024). Drug design on quantum computers. Nature Physics, 20(4), 549-557. https://doi.org/10.1038/s41567-024-02411-5

Franz, J., Oelschlegel, M., Zobel, J. P., Hua, S. A., Borter, J. H., Schmid, L., Morselli, G., Wenger, O. S., Schwarzer, D., Meyer, F., & González, L. (Angenommen/Im Druck). Bifurcation of Excited-State Population Leads to Anti-Kasha Luminescence in a Disulfide-Decorated Organometallic Rhenium Photosensitizer. Journal of the American Chemical Society. https://doi.org/10.1021/jacs.4c00548

Saridakis, I., Riomet, M., Belleza, O. J. V., Coussanes, G., Singer, N. K., Kastner, N., Xiao, Y., Smith, E., Tona, V., de la Torre, A., Lopes, E. F., Sánchez-Murcia, P. A., González, L., Sitte, H. H., & Maulide, N. (2024). PyrAtes: Modular Organic Salts with Large Stokes Shifts for Fluo-rescence Microscopy. Angewandte Chemie - International Edition. https://doi.org/10.1002/anie.202318127

Hernández-Castillo, D., Nau, R. E. P., Schmid, M. A., Tschierlei, S., Rau, S., & González, L. (2023). Multiple Triplet Metal-Centered Jahn-Teller Isomers Determine Temperature-Dependent Luminescence Lifetimes in [Ru(bpy)₃]²⁺. Angewandte Chemie - International Edition, 62(48), [e202308803]. https://doi.org/10.1002/anie.202308803

Singer, N. K., González, L., & Monari, A. (2023). Molecular Photoswitches Regulating the Activity of the Human Serotonin Transporter. The Journal of Physical Chemistry Letters, 14(46), 10333-10339. https://doi.org/10.1021/acs.jpclett.3c02655

Wen, J., Mai, S., & González, L. (2023). Excited-State Dynamics Simulations of a Light-Driven Molecular Motor in Solution. Journal of Physical Chemistry A, 127(45), 9520-9529. https://doi.org/10.1021/acs.jpca.3c05841

Max-Plank-Institut für Festkörperforschung, & Lindh, R. (2023). The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry. Journal of Chemical Theory and Computation, 19(20), 6933-6991. https://doi.org/10.1021/acs.jctc.3c00182

Stitch, M., Avagliano, D., Graczyk, D., Clark, I. P., González, L., Towrie, M., & Quinn, S. J. (2023). Good Vibrations Report on the DNA Quadruplex Binding of an Excited State Amplified Ruthenium Polypyridyl IR Probe. Journal of the American Chemical Society, 145(39), 21344-21360. https://doi.org/10.1021/jacs.3c06099

Singer, N. K., Schlögl, K., Zobel, J. P., Mihovilovic, M. D., & González, L. (2023). Singlet and Triplet Pathways Determine the Thermal Z/E Isomerization of an Arylazopyrazole-Based Photoswitch. The Journal of Physical Chemistry Letters, 14(40), 8956-8961. https://doi.org/10.1021/acs.jpclett.3c01785

Gomez Rodriguez, S., Singer, N. K., Gonzalez, L., & Worth, G. A. (2023). Do we need delocalised wavefunctions for the excited state dynamics of 1,1-difluoroethylene? Canadian Journal of Chemistry, 101(9), 745-757. https://doi.org/10.1139/cjc-2022-0267

Belleza, O. J., Saridakis, I., Lemmerer, M., Riomet, M., Singer, N. K., Sánchez Murcia, P. A., Kastner, N., Xiao, Y., Armentia Matheu, S., Shaaban, S., Westergaard, X., Sulzer, D., Gonzalez, L., Maulide, N., & Sitte, H. H. (2023). Novel fluorescent probes for imaging the serotonin transporter. Journal of Neurochemistry, 166(Supplement1), 84-85. [Meeting Abstract: A 14-01].

Zobel, J. P., Wernbacher, A. M., & González, L. (2023). Efficient Reverse Intersystem Crossing in Carbene-Copper-Amide TADF Emitters via an Intermediate Triplet State. Angewandte Chemie - International Edition, 62(15), [e202217620]. https://doi.org/10.1002/anie.202217620

Reiner, M. M., Bachmair, B., Tiefenbacher, M. X., Mai, S., González, L., Marquetand, P., & Dellago, C. (2023). Nonadiabatic Forward Flux Sampling for Excited-State Rare Events. Journal of Chemical Theory and Computation, 19(6), 1657–1671. https://doi.org/10.1021/acs.jctc.2c01088, https://doi.org/10.48550/arXiv.2208.00686

Schwiedrzik, L., Rajkovic, T., & González, L. (2023). Regeneration and Degradation in a Biomimetic Polyoxometalate Water Oxidation Catalyst. ACS Catalysis, 13(5), 3007-3019. https://doi.org/10.1021/acscatal.2c06301

Sinambela, N., Jacobi, R., Hernández-Castillo, D., Hofmeister, E., Hagmeyer, N., Dietzek-Ivanšić, B., González, L., & Pannwitz, A. (2023). Alignment and photooxidation dynamics of a perylene diimide chromophore in lipid bilayers. Molecular Systems Design and Engineering, 8(7), 842-852. https://doi.org/10.1039/d2me00243d

Zobel, J. P., Radatz, H., & González, L. (2023). Photodynamics of the Molecular Ruby [Cr(ddpd)₂]³⁺. Molecules, 28(4), [1668]. https://doi.org/10.3390/molecules28041668

Zobel, J. P., Kruse, A., Baig, O., Lochbrunner, S., Bokarev, S. I., Kühn, O., González, L., & Bokareva, O. S. (2023). Can range-separated functionals be optimally tuned to predict spectra and excited state dynamics in photoactive iron complexes? Chemical Science, 14(6), 1491-1502. https://doi.org/10.1039/d2sc05839a

Feng, M., Tinelli, R., Cruz Meyrelles, R. J., Gonzalez, L., Maryasin, B., & Maulide, N. (2023). Direct Synthesis of α-Amino Acid Derivatives by Hydrative Amination of Alkynes. Angewandte Chemie (International Edition), 62(1), [e202212399]. https://doi.org/10.1002/anie.202212399

Vörös, D., Angeletti, A., Franchini, C., Mai, S., & González, L. (2023). Adsorption of 4-(N,N-Dimethylamino)-4′-nitrostilbene on an Amorphous Silica Glass Surface. Journal of Physical Chemistry C. https://doi.org/10.1021/acs.jpcc.3c05552