Table 2 The relationship of SMD model parameters for different solvents and electronic excitation index.

From: The Dependence of Implicit Solvent Model Parameters and Electronic Absorption Spectra and Photoinduced Charge Transfer

Solvent model parameters

p-isopropyltoluene

Thiophenol

Carbon disulfide

Diiodomethane

2,2,2-trifluorpethanol

Nitroethane

Water

Excited Energy (eV)

3.40

3.43

3.47

3.44

3.44

3.41

3.60

Oscillator Strength

1.2173

1.216

1.2401

1.2351

1.2564

1.2482

1.1533

D index

2.371

2.380

2.618

2.452

2.565

2.43

1.588

H index

2.960

2.942

3.085

2.99

3.057

2.976

3.16

t index

−0.212

−0.178

−0.130

−0.18

−0.150

−0.187

−1.22

Delta_r

2.371448

2.380514

2.618195

2.452351

2.564824

2.430539

4.93183

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