Resolving Photoinduced Femtosecond Three-Dimensional Solute–Solvent Dynamics through Surface Hopping Simulations-Reference-Cited by-同舟云学术

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Resolving Photoinduced Femtosecond Three-Dimensional Solute–Solvent Dynamics through Surface Hopping Simulations

Published:2024-05-20 Issue:11 Volume:20 Page:4738-4750
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Polonius Severin¹²^ORCID,Lehrner David¹,González Leticia¹³^ORCID,Mai Sebastian¹^ORCID

Affiliation:

1. Institute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna, Austria

2. Vienna Doctoral School in Chemistry (DoSChem), University of Vienna, Währinger Str. 42, 1090 Vienna, Austria

3. Vienna Research Platform on Accelerating Photoreaction Discovery, University of Vienna, Währinger Straße 17, 1090 Vienna, Austria

Funder

Austrian Science Fund

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00169

Reference87 articles.

1. Solvent effects on visible absorption spectra of bis-(2,2'-bipyridyl) biscyanoiron(II), bis-(1,10-phenanthroline)biscyanoiron(II), and related compounds

2. Structural and electronic responses of coordination compounds to changes in the molecule and molecular environment

3. Linear solvation energy relationships. 7. Correlations between the solvent-donicity and acceptor-number scales and the solvatochromic parameters .pi.*, .alpha., and .beta.

4. The influence of solvent—solute interaction on radiationless processes: Excited state dynamics of 1,8-anilinonaphthalene sulphonate and related molecules

5. Theoretical Evidence of Solvent-Mediated Excited-State Dynamics in a Functionalized Iron Sensitizer

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