ReviewJACS Au2021
The Quest to Simulate Excited-State Dynamics of Transition Metal Complexes.
Review in JACS Au, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 23 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
23 citing papers in PubMed.
- From reproducibility to comparability in computational photochemistry: lessons from the PhotoChem explorer prototype.Faraday discussions · 2026Article
- How Structural Subtleties Modulate Excited-State Lifetimes in Cyclometalated Cobalt(III) Complexes: Nonadiabatic Molecular Dynamics Study.Journal of computational chemistry · 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
- Elucidating the Transition Kernel and Anharmonic Coupling in the Spin-crossover Process of a [FeAngewandte Chemie (International ed. in English) · 2026Article
- Ab Initio Molecular Dynamics Simulations for Organic Chemists─It is About Time!Journal of the American Chemical Society · 2026Review
- Ultrafast metal-to-ligand electron transfer driven by bond shortening revealed through dual-edge computational X-ray spectroscopy.Communications chemistry · 2026Article
- An Excitation Strategy for the Initial Condition Generation for Surface Hopping Trajectories Using Electron-Only Dynamics Including Explicit Laser Pulses.Journal of chemical theory and computation · 2025Article
- Benchmarking Structures and UV-Vis Spectra of Iron Complexes Against Experimental Data.The journal of physical chemistry. A · 2025Article
- Non-Innocent Ligands as Mediators for Visible-Light-Initiated Element-Carbon Bond Homolysis in Main Group Chemistry.Angewandte Chemie (International ed. in English) · 2025Review
- Optimal-Reference Excited State Methods: Static Correlation at Polynomial Cost with Single-Reference Coupled-Cluster Approaches.Journal of chemical theory and computation · 2025Article
- Approximate Hamiltonians from a Linear Vibronic Coupling Model for Solution-Phase Spin Dynamics.Journal of chemical theory and computation · 2025Article
- Simulation of Ultrafast Excited-State Dynamics in Fe(II) Complexes: Assessment of Electronic Structure Descriptions.Journal of chemical theory and computation · 2025Article
- An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning.Molecules (Basel, Switzerland) · 2023Article
- Photodynamics of the Molecular Ruby [Cr(ddpd)Molecules (Basel, Switzerland) · 2023Article
- Can range-separated functionals be optimally tuned to predict spectra and excited state dynamics in photoactive iron complexes?Chemical science · 2023Article
- Nature of the Ultrafast Interligands Electron Transfers in Dye-Sensitized Solar Cells.JACS Au · 2023Article
- Understanding Charge Dynamics in Dense Electronic Manifolds in Complex Environments.Journal of chemical theory and computation · 2023Article
- Shedding Light on the Oxidizing Properties of Spin-Flip Excited States in a CrJournal of the American Chemical Society · 2022Article
- Resolving Femtosecond Solvent Reorganization Dynamics in an Iron Complex by Nonadiabatic Dynamics Simulations.Journal of the American Chemical Society · 2022Article
- Manganese(I) Complex with Monodentate Arylisocyanide Ligands Shows Photodissociation Instead of Luminescence.Inorganic chemistry · 2022Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
This Perspective describes current computational efforts in the field of simulating photodynamics of transition metal complexes. We present the typical workflows and feature the strengths and limitations of the different contemporary approaches. From electronic structure methods suitable to describe transition metal complexes to approaches able to simulate their nuclear dynamics under the effect of light, we give particular attention to build a bridge between theory and experiment by critically discussing the different models commonly adopted in the interpretation of spectroscopic experiments and the simulation of particular observables. Thereby, we review all the studies of excited-state dynamics on transition metal complexes, both in gas phase and in solution from reduced to full dimensionality.
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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.