Atom

Charge

f k +

f k

Δ f

Chalcone 2a

C1

+0.522

−0.107

+0.013

−0.120

C2

−0.299

−0.040

−0.137

+0.097

C3

−0.144

−0.128

−0.033

−0.095

Chalcone 2b

C1

+0.528

−0.115

+0.014

−0.129

C2

−0.317

−0.041

−0.107

+0.066

C3

−0.137

−0.136

−0.024

−0.112

Chalcone 2c

C1

+0.523

−0.111

+0.016

−0.127

C2

−0.304

−0.028

−0.123

+0.095

C3

−0.138

−0.130

−0.028

−0.102

Chalcone 2d

C1

+0.521

−0.109

+0.030

−0.139

C2

−0.303

−0.029

−0.133

+0.104

C3

−0.139

−0.130

−0.026

−0.104