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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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發表在:Acc Chem Res
Main Authors: Loco, Daniele, Lagardère, Louis, Adjoua, Olivier, Piquemal, Jean-Philip
格式: Artigo
語言:Inglês
出版: American Chemical Society 2021
在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC8264944/
https://ncbi.nlm.nih.gov/pubmed/33961401
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.accounts.0c00662
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