Molecules | (kcal/mol)) | (kcal/mol) | (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 |