Research Article

Synthesis and Antioxidant Activities of Novel 5-Chlorocurcumin, Complemented by Semiempirical Calculations

Table 1

Mulliken charges for 5-chlorocurcumin using AM1, PM3, and MNDO methods.

AtomsAM1/chargesPM3/chargesMNDO/charges

C(1)
C(2)
C(3)
C(4)
C(5)
C(6)
C(7)
C(8)
C(9)
C(10)
C(11)
C(12)
C(13)
C(14)
C(15)
C(16)
C(17)
C(18)
C(19)
O(20)
O(21)
Cl(22)
O(23)
O(24)
C(25)
O(26)
C(27)
H(28)
H(29)
H(30)
H(31)
H(32)
H(33)
H(34)
H(35)
H(36)
H(37)
H(38)
H(39)
H(40)
H(41)
H(42)
H(43)
H(44)
H(45)
H(46)