Rachel Crespo‐Otero

University College London — United Kingdom

Chemistry · Physical Sciences

33h-index4.5kcitations185works4.12yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Photochemistry and Electron Transfer Studies(51), Luminescence and Fluorescent Materials(35), Advanced Chemical Physics Studies(30), Spectroscopy and Quantum Chemical Studies(30), Organic Light-Emitting Diodes Research(20)

Publications185 total

Is MRSF-TDDFT suitable for cyclobutanone dynamics? The role of higher energy states in surface hopping simulations
The Journal of Chemical Physics·2025· 1 cited
Diabatization with electrostatic embedding for studyingphotophysics in organic molecular crystals
2025
Understanding the photochemistry of a crystalline push-pull norbornadiene photoswitch
2025
Is MRSF-TDDFT Suitable for Cyclobutanone Dynamics? The Role of Higher Energy States in Surface Hopping Simulations
2025
Photochemical Generation and Characterization of Alanine Imine: A Key Intermediate in Prebiotic Amino Acid Formation
Journal of the American Chemical Society·2025
Photochemical Generation and Characterization of Alanine Imine: A Key Intermediate in Prebiotic Amino Acid Formation
2025Open Access
Is MRSF-TDDFT Suitable for Cyclobutanone Dynamics? The Role of Higher Energy States in Surface Hopping Simulations
2025· 1 citedOpen Access
Describing Excited States of Covalently Connected Crystals with Cluster and Embedded Cluster Approaches: Challenges and Solutions
Journal of Chemical Theory and Computation·2025· 4 citedOpen Access
Carbazole Engineering in D–A–D Molecules to Improve the NIR-II Performance for Tumor Micrometastasis Imaging
Nano Letters·2025· 2 cited
Describing excited states of covalently connected crystals with cluster and embedded cluster approaches: Challenges and solutions
2025· 1 cited
Author response for "Designing Molecular and Two Dimensional Metalloporphyrin Catalysts for the Electrochemical CO2 Reduction Reaction"
2025
Origins of crystallisation-induced dual emission ofterephthalic and isophthalic acid crystals
2025Open Access
Machine learning photodynamics decode multiple singlet fission channels in pentacene crystal
Nature Communications·2025· 12 citedOpen Access
Anion Localization on Termini of a Non‐Fullerene Acceptor Aids Charge Transport
Advanced Energy Materials·2025· 2 citedOpen Access
Machine learning for nonadiabatic molecular dynamics: best practices and recent progress
Chemical Science·2025· 6 citedOpen Access
Origins of crystallisation-induced dual emission of terephthalic and isophthalic acid crystals
Physical Chemistry Chemical Physics·2025· 1 citedOpen Access
Designing molecular and two-dimensional metalloporphyrin catalysts for the electrochemical CO <sub>2</sub> reduction reaction
Catalysis Science & Technology·2025· 2 citedOpen Access
Designing Molecular and Two Dimensional Metalloporphyrin Catalysts for the Electrochemical CO2 Reduction Reaction
2024Open Access
Unveiling Carbon Cluster Coating in Graphene CVD on MgO: Combining Machine Learning Force field and DFT Modeling
ACS Applied Materials & Interfaces·2024· 6 citedOpen Access
Selective photocatalytic glucaric acid production from TEMPO-mediated glucose oxidation on alkalized carbon nitride
Applied Catalysis B: Environmental·2024· 14 citedOpen Access
page 1 of 10Next →

Frequent Co-authors

Mario Barbatti(14), Michael Dommett(6), Ljiljana Stojanović(5), Miguel Rivera(5), Devis Di Tommaso(5), Elsa Sánchez‐García(5), Wolfram Sander(5), Hans Lischka(4), Qi Zhao(4), Luís A. Montero(4), Walter Thiel(3), Artur Mardyukov(3), Aron Walsh(3), Reynier Suardíaz(3), José M. Garcı́a de la Vega(3), Federico J. Hernández(3), Felix Plasser(2), Marek Pederzoli(2), Jiřı́ Pittner(2), Christopher R. Jones(2)