ReviewAngewandte Chemie (International ed. in English)2020
Molecular Photochemistry: Recent Developments in Theory.
Review in Angewandte Chemie (International ed. in English), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 51 papers.
What it found
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Who cites it
51 citing papers in PubMed.
- Molecular Quantum Computations on a Protein.Journal of chemical theory and computation · 2026Article
- Design Principles for Next Generation of Small Organic Molecules for Photodynamics Therapy Revealed by Nonadiabatic Molecular Dynamics.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026Article
- A Tutorial on Mechanistic Modeling of Nonstatistical Reactivity: Example of Light and Heat Effects in the Garratt-Braverman/[1,5]‑H Shift of Ene-diallenes.ACS physical chemistry Au · 2026Article
- Mechanistic Insights into Light-Driven Acceptorless Dehydrogenation Reactions.Chemical reviews · 2026Review
- Elucidating the Transition Kernel and Anharmonic Coupling in the Spin-crossover Process of a [FeAngewandte Chemie (International ed. in English) · 2026Article
- Structure-dependent reactive oxygen species generation by scintillator-free X-ray-activated porphyrins: insights into charge effects and internal conversion quantum yield.Journal of radiation research · 2026Article
- Mode-Specific versus Local Heating Effects in Infrared-Laser-Driven Reactions.The journal of physical chemistry. A · 2026Article
- Review
- Similarity Constrained CC2: Toward Efficient Coupled Cluster Nonadiabatic Dynamics among Excited States.Journal of chemical theory and computation · 2025Article
- Machine learning for nonadiabatic molecular dynamics: best practices and recent progress.Chemical science · 2025Review
- Perspective: Vibronic Coupling Potentials for Trajectory-Based Excited-State Dynamics.Journal of chemical theory and computation · 2025Review
- Unraveling the Relaxation Dynamics of Uracil: Insights from Time-Resolved X-ray Photoelectron Spectroscopy.Journal of the American Chemical Society · 2025Article
- Aggregation-Induced Phosphorescence of a Trans-Bis(iminomethylpyrolato)Platinum Complex Bearing a Polymethylene Vaulted Structure: Chain Length-Dependent Solid-State Emissions.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Surface Hopping Nested Instances Training Set for Excited-state Learning.Scientific data · 2025Article
- A Complete Active Space Self-Consistent Field Approach for Molecules in QED Environments.Journal of chemical theory and computation · 2025Article
- Self-Sensitized Fulgimides with Selective Multiplicity-Based Three-State Photoswitching.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Transient-Absorption Pump-Probe Spectra as Information-Rich Observables: Case Study of Fulvene.Molecules (Basel, Switzerland) · 2025Article
- Generalized Coupled Cluster Theory for Ground and Excited State Intersections.The journal of physical chemistry letters · 2025Review
- Photoisomerization Dynamics of Azo-Escitalopram Using Surface Hopping and a Semiempirical Method.The journal of physical chemistry. B · 2025Article
- Including Photoexcitation Explicitly in Trajectory-Based Nonadiabatic Dynamics at No Cost.The journal of physical chemistry letters · 2024Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Photochemistry is a fascinating branch of chemistry that is concerned with molecules and light. However, the importance of simulating light-induced processes is reflected also in fields as diverse as biology, material science, and medicine. This Minireview highlights recent progress achieved in theoretical chemistry to calculate electronically excited states of molecules and simulate their photoinduced dynamics, with the aim of reaching experimental accuracy. We focus on emergent methods and give selected examples that illustrate the progress in recent years towards predicting complex electronic structures with strong correlation, calculations on large molecules, describing multichromophoric systems, and simulating non-adiabatic molecular dynamics over long time scales, for molecules in the gas phase or in complex biological environments.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.