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Excited state tracking during the relaxation of coordination compounds

The ability to locate minima on electronic excited states (ESs) potential energy surfaces both in the case of bright and dark states is crucial for a full understanding of photochemical reactions. This task has become a standard practice for small‐ to medium‐sized organic chromophores thanks to the...

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Detalhes bibliográficos
Publicado no:J Comput Chem
Main Authors: Sanz García, Juan, Boggio‐Pasqua, Martial, Ciofini, Ilaria, Campetella, Marco
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley & Sons, Inc. 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8247441/
https://ncbi.nlm.nih.gov/pubmed/30801766
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.25800
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