Skip to main content
. 2020 May 1;10(29):17195–17204. doi: 10.1039/d0ra02212h

Calculated the polarizability of system modified by different functional groups at B3LYP/aug-cc-pVDZ level.

ligand category SDB S-F-1 S-CH3-1 S-OH-1 S-NH2-1 S-F-2 S-CH3-2 S-OH-2 S-NH2-2
Polarizability (a.u.) 438.86 438.48 462.07 447.98 459.75 441.55 463.64 452.21 466.93