Modeling Excited States of Molecular Organic Aggregates for Optoelectronics von Hernández, Federico J, Crespo-Otero, Rachel

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A Real-Time Time-Dependent Density Functional Tight-Binding Implementation for Semiclassical Excited State Electron–Nuclear Dynamics and Pump–Probe Spectroscopy Simulations von Bonafé, Franco P, Aradi, Bálint, Hourahine, Ben, Medrano, Carlos R, Hernández, Federico J, Frauenheim, Thomas, Sánchez, Cristián G

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Experimentally Delineating the Catalytic Effect of a Single Water Molecule in the Photochemical Rearrangement of the Phenylperoxy Radical to the Oxepin-2(5H)‑one-5-yl Radical von Mardyukov, Artur, Hernández, Federico J., Song, Lijuan, Crespo-Otero, Rachel, Schreiner, Peter R.

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Multiconfigurational Calculations and Photodynamics Describe Norbornadiene Photochemistry von Hernández, Federico J., Cox, Jordan M., Li, Jingbai, Crespo-Otero, Rachel, Lopez, Steven A.

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Water Catalysis of the Reaction between Methanol and OH at 294 K and the Atmospheric Implications von Jara‐Toro, Rafael A., Hernández, Federico J., Taccone, Raúl A., Lane, Silvia I., Pino, Gustavo A.

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Fully Atomistic Real-Time Simulations of Transient Absorption Spectroscopy von Bonafé, Franco P, Hernández, Federico J, Aradi, Bálint, Frauenheim, Thomas, Sánchez, Cristián G

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Competition between ultralong organic phosphorescence and thermally activated delayed fluorescence in dichloro derivatives of 9-benzoylcarbazole von Sidat, Amir, Hernández, Federico J, Stojanovi, Ljiljana, Misquitta, Alston J, Crespo-Otero, Rachel

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Excited state mechanisms in crystalline carbazole: the role of aggregation and isomeric defects von Hernández, Federico J, Crespo-Otero, Rachel

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Photochemical Fingerprinting Is a Sensitive Probe for the Detection of Synthetic Cannabinoid Receptor Agonists; toward Robust Point-of-Care Detection von Andrews, Rachael C., May, Benedict, Hernández, Federico J., Cozier, Gyles E., Townsend, Piers A., Sutcliffe, Oliver B., Haines, Tom S. F., Freeman, Tom P., Scott, Jennifer, Husbands, Stephen M., Blagbrough, Ian S., Bowman, Richard W., Lewis, Simon E., Grayson, Matthew N., Crespo-Otero, Rachel, Carbery, David R., Pudney, Christopher R.

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Multi-level quantum Rabi model for anharmonic vibrational polaritons von Hernández, Federico J., Herrera, Felipe

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Infrared Spectroscopy of OH··CH3OH: Hydrogen-Bonded Intermediate Along the Hydrogen Abstraction Reaction Path von Hernandez, Federico J, Brice, Joseph T, Leavitt, Christopher M, Pino, Gustavo A, Douberly, Gary E

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Mid-infrared signatures of hydroxyl containing water clusters: Infrared laser Stark spectroscopy of OH-H2O and OH(D2O)n (n = 1-3) von Hernandez, Federico J, Brice, Joseph T, Leavitt, Christopher M, Liang, Tao, Raston, Paul L, Pino, Gustavo A, Douberly, Gary E

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The shape of the electric dipole function determines the sub-picosecond dynamics of anharmonic vibrational polaritons von Triana, Johan F., Hernández, Federico J., Herrera, Felipe

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Trapped Hydronium Radical Produced by Ultraviolet Excitation of Substituted Aromatic Molecule von Hernández, Federico J, Capello, Marcela C, Naito, Ayumi, Manita, Shun, Tsukada, Kohei, Miyazaki, Mitsuhiko, Fujii, Masaaki, Broquier, Michel, Gregoire, Gilles, Dedonder-Lardeux, Claude, Jouvet, Christophe, Pino, Gustavo A

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Excited-state vibration-polariton transitions and dynamics in nitroprusside von Grafton, Andrea B., Dunkelberger, Adam D., Simpkins, Blake S., Triana, Johan F., Hernández, Federico J., Herrera, Felipe, Owrutsky, Jeffrey C.

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The dark side of cyclooctatetraene (COT): Photophysics in the singlet states of “self-healing” dyes von Chanmungkalakul, Supphachok, Abedi, Syed Ali Abbas, Hernández, Federico J., Xu, Jianwei, Liu, Xiaogang

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Understanding the active role of water in laboratory chamber studies of reactions of the OH radical with alcohols of atmospheric relevance von Garavagno, Mara de los A, Hernndez, Federico J, Jara-Toro, Rafael A, Pino, Gustavo A

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Triplet Generation Dynamics in Si- and Ge-Bridged Conjugated Copolymers von Hernández, Federico J, Fei, Zhuping, Osborne, Christian, Crespo-Otero, Rachel, Heeney, Martin, Dimitrov, Stoichko D

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Indolocarbazole as a Platform for Concatenated Crystalline Rotors von Hernández-Morales, Ernesto A., Colin-Molina, Abraham, Arcudia, Jessica, Hernández, Federico J., Rodríguez, Mario, Toscano, Ruben A., Crespo-Otero, Rachel, Merino, Gabriel, Rodríguez-Molina, Braulio

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Water catalysis of the reaction between hydroxyl radicals and linear saturated alcohols (ethanol and n-propanol) at 294 K von Jara-Toro, Rafael A, Hernández, Federico J, Garavagno, María de Los A, Taccone, Raúl A, Pino, Gustavo A

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