Atom

Charge

f k +

f k

Δ f

Chalcone 3a

C1

+0.523

−0.111

+0.012

−0.123

C2

−0.303

−0.037

−0.127

+0.090

C3

−0.139

−0.127

−0.031

−0.096

Chalcone 3b

C1

+0.527

−0.113

+0.019

−0.132

C2

−0.316

−0.042

−0.110

0.068

C3

−0.134

−0.131

−0.021

−0.110

Chalcone 3c

C1

+0.524

−0.114

+0.016

−0.130

C2

−0.307

−0.027

−0.112

+0.085

C3

−0.133

−0.130

−0.026

−0.104

Chalcone 3d

C1

+0.522

−0.113

+0.029

−0.142

C2

−0.306

−0.028

−0.121

+0.093

C3

−0.135

−0.128

−0.025

−0.103