Are dispersion corrections accurate outside equilibrium? A case study on benzene
Modern approaches to modelling dispersion forces are becoming increasingly accurate, and can predict accurate binding distances and energies. However, it is possible that these successes reflect a fortuitous cancellation of errors at equilibrium. Thus, in this work we investigate whether a selection...
Furkejuvvon:
| Váldodahkkit: | , , |
|---|---|
| Materiálatiipa: | Artigo |
| Giella: | Inglês |
| Almmustuhtton: |
Beilstein-Institut
2018-05-01
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| Ráidu: | Beilstein Journal of Organic Chemistry |
| Fáttát: | |
| Liŋkkat: | https://doi.org/10.3762/bjoc.14.99 |
| Fáddágilkorat: |
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