Science.Online
Search
Publisher and Institutes
Akademie Verlag
Deutsches Institut für Urbanistik
Oldenbourg Wissenschaftsverlag
Walter de Gruyter
Schattauer
You are here: Home :: Keyword index :: gen bis Hyd :: host specificity - human bone Host-Guest

Items for "Host-Guest"

Rational Design of Cation Hosts – Prediction of Cation Selectivity by Quantum Chemical Calculations

Structures of [M ⊂ 2.2.2]n+ obtained with MNDO, AM1, PM3, PM3/SPASS, and PM5, are evaluated against X-ray and DFT (B3LYP/LANL2DZp) geometries...

Keywords: DFT, Semi-Empirical, Sparkle, Host-Guest, Cation Selectivity

04/2006 | Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag