| Lizenz: Creative Commons Namensnennung 4.0 International PDF - Veröffentlichte Version (1MB) |
- URN zum Zitieren dieses Dokuments:
- urn:nbn:de:bvb:355-epub-450928
- DOI zum Zitieren dieses Dokuments:
- 10.5283/epub.45092
Zusammenfassung
An implicit account of the solvent effect can be carried out using traditional static quantum chemistry calculations by applying an external electric field to the studied molecular system. This approach allows one to distinguish between the effects of the macroscopic reaction field of the solvent and specific solute-solvent interactions. In this study, we report on the dependence of the ...
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