| Short hydrogen bonds enhance nonaromatic protein-related fluorescence AD Stephens, MN Qaisrani, MT Ruggiero, G Díaz Mirón, UN Morzan, ... Proceedings of the National Academy of Sciences 118 (21), e2020389118, 2021 | 26 | 2021 |
| Non-aromatic fluorescence in biological matter: the exception or the rule? UN Morzan, G Díaz Mirón, L Grisanti, MC González Lebrero, ... The Journal of Physical Chemistry B 126 (38), 7203-7211, 2022 | 15 | 2022 |
| Fluorescence quantum yields in complex environments from QM-MM TDDFT simulations: The case of indole in different solvents G Díaz Mirón, MC Gonzalez Lebrero The Journal of Physical Chemistry A 124 (46), 9503-9512, 2020 | 11 | 2020 |
| QM–MM Ehrenfest dynamics from first principles: photodissociation of diazirine in aqueous solution F Ramírez, G Díaz Mirón, MC González Lebrero, DA Scherlis Theoretical Chemistry Accounts 137 (9), 124, 2018 | 7 | 2018 |
| The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter GD Mirón, JA Semelak, L Grisanti, A Rodriguez, I Conti, M Stella, ... Nature Communications 14 (1), 7325, 2023 | 6 | 2023 |
| SERS spectrum of imazalil. Experimental and quantum‐chemical vibrational analysis G Díaz‐Mirón, MA Sánchez, DM Chemes, RMS Álvarez Journal of Raman Spectroscopy 49 (4), 638-650, 2018 | 6 | 2018 |
| Aqueous Solution Chemistry In Silico and the Role of Data Driven Approaches D Banerjee, K Azizi, CK Egan, ED Donkor, C Malosso, S Di Pino, ... arXiv preprint arXiv:2403.06236, 2024 | | 2024 |
| Exploring the Mechanisms Behind Non Aromatic Fluorescence with Density Functional Tight Binding Method GD Mirón, CR Lien-Medrano, D Banerjee, UN Morzan, MA Sentef, ... arXiv preprint arXiv:2401.09990, 2024 | | 2024 |
| Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method G Díaz Mirón, CR Lien-Medrano, D Banerjee, UN Morzan, MA Sentef, ... Journal of Chemical Theory and Computation, 2024 | | 2024 |
| TD‐DFT modeling of electronic spectra of biliverdins in different environments GD Mirón, DA Estrin, SE Bari, MC Gonzalez Lebrero International Journal of Quantum Chemistry 122 (22), e26987, 2022 | | 2022 |
| TD-DFT Modeling of Electronic Spectra of Biliverdins in Different Environments (preprint) GD Mirón, S Bari, MG Lebrero | | 2022 |
