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- URN zum Zitieren dieses Dokuments:
- urn:nbn:de:bvb:355-epub-776519
- DOI zum Zitieren dieses Dokuments:
- 10.5283/epub.77651
Zusammenfassung
Force field molecular dynamics simulations of aqueous solutions of TMAO and urea are used to investigate the delicate interactions in binary and ternary mixtures of one of the most important osmolyte systems. We explore the effect of the choice of force fields on local interactions and thermodynamics. Fully decomposed dielectric relaxation spectra from simulations are used to interpret existing ...
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