Atomistic Polarizable Embeddings: Energy, Dynamics, Spectroscopy, and Reactivity

[Image: see text] The computational modeling of realistic extended systems, relevant in, e.g., Chemistry and Biophysics, is a fundamental problem of paramount importance in contemporary research. Enzymatic catalysis and photoinduced processes in pigment–protein complexes are typical problems targete...

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Detalles Bibliográficos
Autores principales: Loco, Daniele, Lagardère, Louis, Adjoua, Olivier, Piquemal, Jean-Philip
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8264944/
https://www.ncbi.nlm.nih.gov/pubmed/33961401
http://dx.doi.org/10.1021/acs.accounts.0c00662

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8264944/
https://www.ncbi.nlm.nih.gov/pubmed/33961401
http://dx.doi.org/10.1021/acs.accounts.0c00662

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