Atom

Charge

f k +

f k

Δ f

Chalcone 1a

C1

+0.522

−0.116

+0.017

−0.133

C2

−0.312

−0.027

−0.156

+0.129

C3

−0.134

−0.133

−0.029

−0.104

Chalcone 1b

C1

+0.526

−0.118

+0.021

−0.139

C2

−0.325

−0.034

−0.139

+0.105

C3

−0.129

−0.138

−0.021

−0.117

Chalcone 1c

C1

+0.523

−0.118

+0.019

−0.137

C2

−0.316

−0.017

−0.138

+0.121

C3

−0.128

−0.135

−0.025

−0.110

Chalcone 1d

C1

+0.521

−0.117

+0.032

−0.149

C2

−0.315

−0.018

−0.149

+0.131

C3

−0.129

−0.134

−-0.023

−0.111