GMTKN55 PCONF21

References

GMTKN55: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn55

L. Goerigk, A. Hansen. C. A. Bauer, S. Ehrlich, A. Najibi and S. Grimme in Phys. Chem. Chem. Phys., 2017: https://doi.org/10.1039/C7CP04913G

Molecules

300 GLY_aL GLY_ab SER_aR 470 SER_pII 412 366 357 SER_ab SER_aL 99 GLY_aR 444 215 224 GLY_b SER_b 691 GLY_pII 114

Reactions

1: 99 -> 444, energy = 3.18720288e-05

2: 99 -> 357, energy = 0.0016095374544000001

3: 99 -> 366, energy = 0.001115521008

4: 99 -> 215, energy = 0.001354561224

5: 99 -> 300, energy = 0.0012430091232000001

6: 99 -> 114, energy = 0.0030597147648

7: 99 -> 412, energy = 0.0034740511392

8: 99 -> 691, energy = 0.0025656983184000003

9: 99 -> 470, energy = 0.0030119067215999998

10: 99 -> 224, energy = 0.0032987549808

11: GLY_ab -> GLY_aR, energy = 0.0017051535408

12: GLY_ab -> GLY_pII, energy = 0.0019601297712

13: GLY_ab -> GLY_aL, energy = 0.0038883875136

14: GLY_ab -> GLY_b, energy = 0.0034103070816

15: SER_ab -> SER_aR, energy = 0.0023425941168

16: SER_ab -> SER_pII, energy = 0.004462084032

17: SER_ab -> SER_aL, energy = 0.0036174752688000003

18: SER_ab -> SER_b, energy = 0.004366467945600001