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Theoretical and Computational Chemistry

Working Paper

Excited State Mechanisms in Crystalline Carbazole: The Role of Aggregation and Isomeric Defects

Federico J. Hernández, Rachel Crespo Otero

Version 1 posted 19 May 2021

413

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Materials Science

Working Paper

Millimeter-Sized Metal-Organic Framework Single Crystals without Inversion Symmetry: Controlled Growth and Self-Assembly Mechanism

Juan Manuel Garcia Garfido, javier enriquez, Ignacio Chi-Duran, Ivan Jara, Leonardo Vivas, Federico J. Hernandez, Felipe Herrera, Dinesh Pratap Singh

Version 1 posted 25 September 2020

1,161

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Physical Chemistry

Working Paper

Excited-State Vibration-Polariton Transitions and Dynamics in Nitroprusside

Andrea B. Grafton, Adam D. Dunkelberger, Blake S. Simpkins, Johan F. Triana, Federico J. Hernandez, Felipe Herrera, Jeff Owrutsky

Version 1 posted 23 June 2020

368

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1

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Materials Chemistry

Working Paper

Dual-State Emission in Molecular Rotors with Reorientable Benzotriazole Acceptors

Lizbeth Rodríguez-Cortés, Federico Hernández, Mario Rodríguez, Rubén Toscano, Arturo Jiménez-Sánchez, Rachel Crespo-Otero, Braulio Rodríguez-Molina

Version 1 posted 22 October 2021

415

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1

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Materials Chemistry

Working Paper

Competition between ultralong organic phosphorescence and thermally activated delayed fluorescence in dichloro derivatives of 9-benzoylcarbazole

Amir Sidat, Federico J. Hernández, Ljiljana Stojanovic, Alston J. Misquitta, Rachel Crespo-Otero

Version 1 posted 26 August 2022

329

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Theoretical and Computational Chemistry

Working Paper

Machine learning photodynamics beyond the Frenkel exciton model: Intermolecular vibrations trigger ultrafast singlet fission in pentacene crystal

Zhendong Li, Federico Hernández, Christian Salguero, Steven Lopez, Rachel Crespo-Otero, Jingbai Li

Version 1 posted 22 April 2024

407

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Organic Chemistry

Working Paper

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

Artur Mardyukov, Federico Hernandez, Lijuan Song, Rachel Crespo-Otero, Peter Richard Schreiner

Version 1 posted 12 March 2024

221

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Organic Chemistry

Working Paper

Multiconfigurational calculations and photodynamics describe norbornadiene photochemistry

Federico Hernandez, Jordan Cox, Jingbai Li, Rachel Crespo-Otero, Steven Lopez

Version 2 posted 23 November 2022

444

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8 results in Federico Hernández in Authors: Federico Hernández

Excited State Mechanisms in Crystalline Carbazole: The Role of Aggregation and Isomeric Defects

Millimeter-Sized Metal-Organic Framework Single Crystals without Inversion Symmetry: Controlled Growth and Self-Assembly Mechanism

Excited-State Vibration-Polariton Transitions and Dynamics in Nitroprusside

Dual-State Emission in Molecular Rotors with Reorientable Benzotriazole Acceptors

Competition between ultralong organic phosphorescence and thermally activated delayed fluorescence in dichloro derivatives of 9-benzoylcarbazole

Machine learning photodynamics beyond the Frenkel exciton model: Intermolecular vibrations trigger ultrafast singlet fission in pentacene crystal

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

Multiconfigurational calculations and photodynamics describe norbornadiene photochemistry

8 results in Authors: Federico Hernández