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Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics
[Image: see text] Multiscale QM/MM approaches have become the most suitable and effective methods for the investigation of spectroscopic properties of medium- or large-size chromophores in condensed phases. On these grounds, we are developing a novel workflow aimed at improving the generality, relia...
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| 出版年: | J Chem Theory Comput |
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| 主要な著者: | , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
American
Chemical Society
2020
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| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8009517/ https://ncbi.nlm.nih.gov/pubmed/32697580 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c00454 |
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