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Research

Publications: DR Federico Hernandez

( 2026 ) . Perspective on a challenge: Predicting the photochemistry of cyclobutanone . The Journal of Chemical Physics vol. 165 , ( 2 )
( 2026 ) . A Magnetically Bistable Rigid Carbene2,3-Benzofluorenylidene . Journal of the American Chemical Society vol. 148 , ( 15 ) 15883 - 15896 .
( 2026 ) . Unraveling the Sources of Broadening in UV–Visible Spectra of Crystalline Oligoacenes Using Multiscale Computational Protocols . The Journal of Physical Chemistry Letters vol. 17 , ( 5 ) 1383 - 1392 .
( 2026 ) . Understanding the photochemistry of a crystalline push–pull norbornadiene photoswitch . Chemical Science vol. 17 , ( 14 ) 7157 - 7170 .
( 2025 ) . Spectroscopic characterisation of metastable photoswitches for CO 2 capture and release . Chemical Communications vol. 61 , ( 91 ) 17850 - 17853 .
Hernández FJ, Cox JM, Li J, Crespo-Otero R, Lopez SA ( 2023 ) . Multiconfigurational Calculations and Photodynamics Describe Norbornadiene Photochemistry . The Journal of Organic Chemistry vol. 88 , ( 9 ) 5311 - 5320 .
( 2023 ) . Conformational emissive states in dual-state emitters with benzotriazole acceptors . Matter vol. 6 , ( 4 ) 1140 - 1159 .
Hernández FJ, Crespo-Otero R ( 2023 ) . Modeling Excited States of Molecular Organic Aggregates for Optoelectronics . Annual Review of Physical Chemistry vol. 74 , ( 1 ) 547 - 571 .
( 2023 ) . Photochemical Fingerprinting Is a Sensitive Probe for the Detection of Synthetic Cannabinoid Receptor Agonists; toward Robust Point-of-Care Detection . Analytical Chemistry vol. 95 , ( 2 ) 703 - 713 .
Belmonte‐Vázquez JL, Hernández‐Morales EA, Hernández F, García‐González MC, Miranda LD, Crespo‐Otero R, Rodríguez‐Molina B ( 2022 ) . Cover Feature: Asymmetric Dual‐State Emitters Featuring Thiazole Acceptors (Eur. J. Org. Chem. 35/2022) . European Journal of Organic Chemistry vol. 2022 , ( 35 )
Belmonte‐Vázquez JL, Hernández‐Morales EA, Hernández F, García‐González MC, Miranda LD, Crespo‐Otero R, Rodríguez‐Molina B ( 2022 ) . Asymmetric Dual‐State Emitters Featuring Thiazole Acceptors . European Journal of Organic Chemistry vol. 2022 , ( 35 )
Hernández FJ, Fei Z, Osborne C, Crespo-Otero R, Heeney M, Dimitrov SD ( 2022 ) . Triplet Generation Dynamics in Si- and Ge-Bridged Conjugated Copolymers . The Journal of Physical Chemistry C vol. 126 , ( 2 ) 1036 - 1045 .
Sidat A, Hernández FJ, Stojanović L ( 2022 ) . Competition between ultralong organic phosphorescence and thermally activated delayed fluorescence in dichloro derivatives of 9-benzoylcarbazole . Physical Chemistry Chemical Physics vol. 24 , ( 48 ) 29437 - 29450 .
( 2022 ) . Rate coefficient and mechanism of the OH-initiated degradation of cyclobutanol: A combined experimental and theoretical study . Atmospheric Environment vol. 268 ,
( 2021 ) . Millimeter-Scale Zn(3-ptz)2 Metal–Organic Framework Single Crystals: Self-Assembly Mechanism and Growth Kinetics . ACS Omega vol. 6 , ( 27 ) 17289 - 17298 .
( 2021 ) . Excited-state vibration-polariton transitions and dynamics in nitroprusside . Nature Communications vol. 12 , ( 1 )
Hernández FJ, Crespo-Otero R ( 2021 ) . Excited state mechanisms in crystalline carbazole: the role of aggregation and isomeric defects . Journal of Materials Chemistry C vol. 9 , ( 35 ) 11882 - 11892 .
( 2020 ) . The shape of the electric dipole function determines the sub-picosecond dynamics of anharmonic vibrational polaritons . The Journal of Chemical Physics vol. 152 , ( 23 )
Sidat A, Hernández FJ, Stojanovic L, Misquitta AJ, Crespo-Otero R . Competition between ultralong organic phosphorescence and thermally activated delayed fluorescence in dichloro derivatives of 9-benzoylcarbazole .
. Dual-State Emission in Molecular Rotors with Reorientable Benzotriazole Acceptors .
. Excited State Mechanisms in Crystalline Carbazole: The Role of Aggregation and Isomeric Defects .
. Multiconfigurational calculations and photodynamics describe norbornadiene photochemistry .
. Unraveling the sources of broadening in UV-Visible spectra of crystalline oligoacenes using multiscale computational protocols .