ArticleProceedings of the National Academy of Sciences of the United States of America2021
Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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14 citing papers in PubMed.
- Article
- The Importance of Going beyond the Independent Atom Model When Predicting UED Signals from Simulations.Journal of chemical theory and computation · 2026Article
- Attosecond Momentum-Resolved Resonant Inelastic X-ray Scattering for Imaging Coupled Electron-Hole Dynamics.The journal of physical chemistry letters · 2026Article
- Unlocking azobenzene isomerization mechanismsChemical science · 2026Article
- Tutorial on Energy Transfer Mechanisms and Computational Methods in X‑ray Photodynamic Therapy with Metal Nanoclusters.ACS physical chemistry Au · 2026Article
- Transient X‑ray Absorption Signatures of Photodissociation Pathways and Conical Intersection Dynamics in Phenol.JACS Au · 2026Article
- Nonorthogonal Configuration Interaction of Constraint-Based Orbital-Optimized Excited States: A Versatile Method for Theoretical Photochemistry.Journal of chemical theory and computation · 2025Article
- Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol.Journal of chemical theory and computation · 2024Article
- Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions.Journal of chemical theory and computation · 2023Article
- Time-resolved X-ray and XUV based spectroscopic methods for nonadiabatic processes in photochemistry.Chemical communications (Cambridge, England) · 2022Review
- Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMM.Journal of computational chemistry · 2022Article
- Electronic coherences in nonadiabatic molecular photophysics revealed by time-resolved photoelectron spectroscopy.Proceedings of the National Academy of Sciences of the United States of America · 2022Article
- Photoisomerization transition state manipulation by entangled two-photon absorption.Proceedings of the National Academy of Sciences of the United States of America · 2021Article
- Unveiling the spatial distribution of molecular coherences at conical intersections by covariance X-ray diffraction signals.Proceedings of the National Academy of Sciences of the United States of America · 2021Article
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8 authors.
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No grant is acknowledged in the PubMed record.
Abstract
X-ray diffraction is routinely used for structure determination of stationary molecular samples. Modern X-ray photon sources, e.g., from free-electron lasers, enable us to add temporal resolution to these scattering events, thereby providing a movie of atomic motions. We simulate and decipher the various contributions to the X-ray diffraction pattern for the femtosecond isomerization of azobenzene, a textbook photochemical process. A wealth of information is encoded besides real-time monitoring of the molecular charge density for the
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