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Table 4 Effect of solvent polarity on polarizability (a.u.) and first order hyperpolarizability (a,u)

From: Computational investigations of physicochemical, pharmacokinetic, toxicological properties and molecular docking of betulinic acid, a constituent of Corypha taliera (Roxb.) with Phospholipase A2 (PLA2)

Medium (dielectric constant) αxx αyy αzz αtot βx βy βz βtot
Gas Phase 355.73 300.52 260.89 305.72 103.92 −121.26 −37.58 164.06
Water (78.3) 447.54 459.46 439.01 448.67 154.68 − 170.92 −87.52 246.57
DMSO (46.8) 441.82 450.17 428.25 440.08 132.92 − 155.98 −68.48 216.07
Acetonitrile (35.7) 442.00 448.66 425.71 438.79 130.61 −155.78 −70.89 215.30
n-Octanol (9.9) 434.46 426.93 394.48 418.62 139.39 − 157.93 −74.51 223.43
Chloroform (4.7) 418.61 395.58 356.17 390.12 124.74 − 146.22 −58.57 200.93
Carbon tetrachloride (2.2) 393.70 352.38 309.63 351.90 117.66 − 134.29 −46.43 184.48