TY  - GEN 
AU  - Daver, Henrik
AU  - García Algarra, Andrés
AU  - Rebek, Julius
AU  - Harvey, Jeremy N.
AU  - Himo, Fahmi
A4  - Ciencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica
PY  - 2018
SN  - 1520-5126
SN  - 0002-7863
UR  - http://hdl.handle.net/10498/32981
AB  - The host-guest binding properties of a water-soluble resorcinarene-based cavitand are examined using density functional theory methodology. Experimentally, the cavitand has been observed to self-assemble in aqueous solution into both 1:1 and 2:1...
LA  - eng
PB  - American Chemical Society
TI  - Mixed Explicit-Implicit Solvation Approach for Modeling of Alkane Complexation in Water-Soluble Self-Assembled Capsules
DO  - 10.1021/jacs.8b06984
ER  -