Which Electronic Structure Method to Choose in Trajectory Surface Hopping Dynamics Simulations? Azomethane as a Case Study
Author:
Affiliation:
1. Nantes Université, CNRS, CEISAM UMR 6230, Nantes F-44000, France
2. Institut Universitaire de France (IUF), Paris F-75005, France
Funder
HORIZON EUROPE European Research Council
Agence Nationale de la Recherche
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.3c03014
Reference74 articles.
1. Molecular Basis of Visual Excitation
2. Photoelectrochemical information storage using an azobenzene derivative
3. Photochemical Restoration of Visual Responses in Blind Mice
4. Photochromic Materials: More Than Meets The Eye
5. Molecular machines
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