GMTKN55 IDISP

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

L. Goerigk; S. Grimme, J. Chem. Theory Comput., 2010, 6, 107-126: https://doi.org/10.1021/ct900489g

Molecules

ant h2 F14f antdimer undecan2 F22l octane2 F14l pc22 undecan1 pxylene F22f octane1

Reactions

1: 2ant -> antdimer, energy = -0.014581453176

2: pc22 + 2h2 -> 2pxylene, energy = -0.0960622948032

3: octane2 -> octane1, energy = -0.0019282577424

4: undecan2 -> undecan1, energy = 0.014501773104

5: F14f -> F14l, energy = -0.005800709241600001

6: F22f -> F22l, energy = -0.0031234588224