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- URN zum Zitieren dieses Dokuments:
- urn:nbn:de:bvb:355-epub-341827
- DOI zum Zitieren dieses Dokuments:
- 10.5283/epub.34182
Alternative Links zum Volltext:DOI
Zusammenfassung
A systematic density functional theory based study of hydrogen bond energies of 2465 single hydrogen bonds has been performed. In order to be closer to liquid phase conditions, different from the usual reference state of individual donor and acceptor molecules in vacuum, the reference state of donors and acceptors embedded in a perfect conductor as simulated by the COSMO solvation model has been ...
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