Abstract: The circular dichroism spectra of the four possible configurations [(R,R), (R,S), (S,R), (S,S)] of loliolides are simulated on the basis of electronic excitation energies (wavelength) and rotational strengths R (nm) calculated by time dependent density functional theory using three density functionals (B3PW91 , PBE0 , B3LYP) and three basis sets [TZVP, SVP, 6-31G (d)]. All three basis sets give almost similar l and R with B3PW91 and B3LYP methods but with the PBE0 method, lower values of l and R were observed.