טוען...
Benchmarking the performance of time-dependent density functional theory methods on biochromophores
Quantum chemical calculations are important for elucidating light-capturing mechanisms in photobiological systems. The time-dependent density functional theory (TDDFT) has become a popular methodology due to its balance between accuracy and computational scaling, despite its problems in describing,...
שמור ב:
| הוצא לאור ב: | J Chem Theory Comput |
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| Main Authors: | , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
2019
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7391796/ https://ncbi.nlm.nih.gov/pubmed/31815476 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00823 |
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