LN00A032 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy
CEZ
AV0Z4055905 - UOCHB-X
Anotace
Aqueous solvation of tetrabutyl ammonium fluoride and iodide was investigated by means of molecular dynamics simulations is extended slab geometry. The varying propensities of the individual ions for the air/water interface were quantified and analyzed in terms of hydrophobic, polarization, and ion-ion interactions
