Evidence map›Paper›PMID 35776920›Full record

ArticleJournal of the American Chemical Society2022

Resolving Femtosecond Solvent Reorganization Dynamics in an Iron Complex by Nonadiabatic Dynamics Simulations.

Diana Bregenholt Zederkof, Klaus B Møller, Martin M Nielsen, Kristoffer Haldrup, Leticia González, Sebastian Mai

Abstract read
In one paragraph

Article in Journal of the American Chemical Society, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

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.

2 · The registry

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.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

7 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Article
  5. Article
  6. Photoactive Metal-to-Ligand Charge Transfer Excited States in 3dJournal of the American Chemical Society · 2023
    Review
  7. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

Diana Bregenholt ZederkofDepartment of Physics, Technical University of Denmark, Fysikvej, bygning 307, 2800 Kongens Lyngby, Denmark.ORCID 0000-0001-5811-7525
Klaus B MøllerDepartment of Chemistry, Technical University of Denmark, Kemitorvet, bygning 207, 2800 Kongens Lyngby, Denmark.ORCID 0000-0002-9797-7437
Martin M NielsenDepartment of Physics, Technical University of Denmark, Fysikvej, bygning 307, 2800 Kongens Lyngby, Denmark.
Kristoffer HaldrupDepartment of Physics, Technical University of Denmark, Fysikvej, bygning 307, 2800 Kongens Lyngby, Denmark.
Leticia GonzálezInstitute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna, Währinger Straße 17, 1090 Vienna, Austria.ORCID 0000-0001-5112-794X
Sebastian MaiInstitute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna, Währinger Straße 17, 1090 Vienna, Austria.ORCID 0000-0001-5327-8880

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The ultrafast dynamical response of solute-solvent interactions plays a key role in transition metal complexes, where charge transfer states are ubiquitous. Nonetheless, there exist very few excited-state simulations of transition metal complexes in solution. Here, we carry out a nonadiabatic dynamics study of the iron complex [Fe(CN)

Indexed as

Coordination ComplexesOrganometallic CompoundsIronLigandsQuantum TheorySolventsWaterCoordination ComplexesIronLigandsOrganometallic CompoundsSolventsWater

Identifiers

PMID35776920
PMCPMC9305979

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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.