Molecules

Δ H f 0 (kcal/mol))

Δ G f 0 (kcal/mol)

Δ S f 0 (kcal/mol/K−1)

TH1

−1820.237

−1365.870

−1.523

TH2

−1141.650

−769.943

−1.246

TH3

−1205.114

−782.789

−1.416

TH4

−1292.445

−803.531

−1.639

TH5

−1078.268

−707.824

−1.242

TH6

−1219.628

−782.111

−1.467

TH7

−1234.409

−831.811

−1.350

TH8

−1024.165

−667.092

−1.197

TH9

−1437.125

−1016.463

−1.410

TH10

−1437.534

−1112.385

−1.090

TH11

−1156.447

−769.929

−1.296

TH12

−1080.590

−667.214

−1.386

TH13

−1370.291

−864.531

−1.696

TH14

−1233.948

−752.657

−1.614