검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
HYDROPHOBE Challenge: A Joint Experimental and Computational. Study on the Host Guest Binding of Hydrocarbons to Cucurbiturils, Allowing Explicit Evaluation of Guest Hydration Free-Energy Contributions Assaf KI, Florea M, Antony J, Henriksen NM, Yin J, Hansen A, Qu ZW, Sure R, Klapstein D, Gilson MK, Grimme S, Nau WM Journal of Physical Chemistry B, 121(49), 11144, 2017 |
| 2 |
Blind Prediction of Binding Affinities for Charged Supramolecular Host-Guest Systems: Achievements and Shortcomings of DFT-D3 Sure R, Antony J, Grimme S Journal of Physical Chemistry B, 118(12), 3431, 2014 |
| 3 |
Substituent Effects and Supramolecular Interactions of Titanocene(III) Chloride: Implications for Catalysis in Single Electron Steps Gansauer A, Kube C, Daasbjerg K, Sure R, Grimme S, Fianu GD, Sadasivam DV, Flowers RA Journal of the American Chemical Society, 136(4), 1663, 2014 |