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Physical Chemistry

Working Paper

Molecular and Crystalline Requirements for Solid State Fluorescence Exploiting Excited State Intramolecular Proton Transfer

Michael Dommett, Miguel Rivera, Matthew T. H. Smith, Rachel Crespo Otero

598

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Inorganic Chemistry

Working Paper

Rotaxane CoII Complexes as Field-Induced Single-Ion Magnets

Martina Cirulli, Enrico Salvadori, Zhi-Hui Zhang, Michael Dommett, Floriana Tuna, Heiko Bamberger, James Lewis, Amanpreet Kaur, Graham Tizzard, Joris van Slageren, Rachel Crespo Otero, Stephen Goldup, Maxie Roessler

343

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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

307

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Theoretical and Computational Chemistry

Working Paper

The Newton-X platform: new software developments for surface hopping and nuclear ensembles

Mario BARBATTI, Mattia Bondanza, Rachel Crespo-Otero, Baptiste Demoulin, Pavlo Dral, Giovanni Granucci, Fabris Kossoski, Hans Lischka, Benedetta Mennucci, Saikat Mukherjee, Marek Pederzoli, Maurizio Persico, Max Pinheiro Jr, Jiri Pittner, Felix Plasser, Eduarda Sangiogo Gil, Lijljana Stojanovic

368

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Inorganic Chemistry

Working Paper

Protect to Detect: A Golgi Apparatus Targeted Probe to Image Mobile Zinc Through the Use of a Lipophilic Cell-Labile Protecting Group Strategy

Le Fang, Rachel Crespo Otero, Christopher Jones, Mike Watkinson

332

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Physical Chemistry

Working Paper

Aggregation Induced Emission in the Tetraphenylthiophene Crystal: The Role of Triplet States

Ljiljana Stojanovic, Rachel Crespo Otero

509

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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

353

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Theoretical and Computational Chemistry

Working Paper

ONIOM(QM:QM') Electrostatic Embedding Schemes for Photochemistry in Molecular Crystals

Miguel Rivera, Michael Dommett, Rachel Crespo Otero

634

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Materials Science

Working Paper

The role of conical intersections on the efficiency of fluorescent organic molecular crystals

Miguel Rivera, Ljiljana Stojanovic, Rachel Crespo Otero

775

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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

343

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Refine Search

13 results in Rachel Crespo-Otero in Authors: Rachel Crespo-Otero

Molecular and Crystalline Requirements for Solid State Fluorescence Exploiting Excited State Intramolecular Proton Transfer

Rotaxane CoII Complexes as Field-Induced Single-Ion Magnets

Dual-State Emission in Molecular Rotors with Reorientable Benzotriazole Acceptors

The Newton-X platform: new software developments for surface hopping and nuclear ensembles

Protect to Detect: A Golgi Apparatus Targeted Probe to Image Mobile Zinc Through the Use of a Lipophilic Cell-Labile Protecting Group Strategy

Aggregation Induced Emission in the Tetraphenylthiophene Crystal: The Role of Triplet States

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

ONIOM(QM:QM') Electrostatic Embedding Schemes for Photochemistry in Molecular Crystals

The role of conical intersections on the efficiency of fluorescent organic molecular crystals

Multiconfigurational calculations and photodynamics describe norbornadiene photochemistry

13 results in Authors: Rachel Crespo-Otero