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Gonzalo Díaz Mirón
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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
292021
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
162022
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
122020
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
72023
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
72018
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
62018
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 20 (9), 3864-3878, 2024
2024
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
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
Estudio estructural por espectroscopía vibracional del plaguicida imazalil y su detección en bajas concentraciones empleando un nuevo sustrato SERS-activo
G Díaz Mirón, DM Chemes, RMS Alvarez
Universidad Nacional de Río Cuarto, 2017
2017
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