Molecular Dynamics and NMR Parameter Calculations
β Scribed by Debra J. Searles; Hanspeter Huber
- Publisher
- John Wiley and Sons
- Year
- 2005
- Weight
- 8 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0931-7597
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## Abstract To understand the increased solubility and decreased bitter taste of berberine, a clinically important isoquinoline alkaloid, in the presence of cyclodextrins, the interaction with __Ξ³__βcyclodextrin (__Ξ³__βCD) in aqueous solution was studied by a combination of ^1^HβNMR analyses and mo
The molecular dynamics algorithm of Verlet is extended to study dense neukai assemblies of charged particles under specified.V-T conditions. Thermodynamic quantities are obtained for liquid alkali chkrides at 1273Β°K which are in satisfactory agreement with experiment.