GMTKN55 S22
References
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
Jurecka, P.; Sponer, J.; Cerny, J.; Hobza, P. Phys. Chem. Chem. Phys. 2006, 8, 1985-1993: https://doi.org/10.1039/B600027D
Molecules
16a 19b 03 04 15a 10b 05 02 04a 21a 07a 22a 02b 03a 06b 09a 20b 11a 20 18 11 16 14b 17 12a 10 19 21 18a 17b 07 13a 09 19a 16b 10a 08 01 06 15b 21b 01a 22b 02a 07b 08a 06a 05a 20a 14a 15 12 17a 18b 13 14 22
Reactions
1: 01 -> 201a, energy = 0.00499275331152
2: 02 -> 202a, energy = 0.007950477584159999
3: 03 -> 203a, energy = 0.029884807804320002
4: 04 -> 204a, energy = 0.02559642632928
5: 05 -> 205a, energy = 0.032893527323039996
6: 06 -> 06a + 06b, energy = 0.026986046784960003
7: 07 -> 07a + 07b, energy = 0.0265493999904
8: 08 -> 208a, energy = 0.00083982795888
9: 09 -> 209a, energy = 0.00234578131968
10: 10 -> 10a + 10b, energy = 0.00230753488512
11: 11 -> 211a, energy = 0.00422941822176
12: 12 -> 212a, energy = 0.0067807741271999995
13: 13 -> 213a, energy = 0.0156252621192
14: 14 -> 14a + 14b, energy = 0.0072094529145600005
15: 15 -> 15a + 15b, energy = 0.018692944891200002
16: 16 -> 16a + 16b, energy = 0.00238402775424
17: 17 -> 17a + 17b, energy = 0.005219044716
18: 18 -> 18a + 18b, energy = 0.00368440652928
19: 19 -> 19a + 19b, energy = 0.007236544139040001
20: 20 -> 20a + 20b, energy = 0.00432981511248
21: 21 -> 21a + 21b, energy = 0.00896719530288
22: 22 -> 22a + 22b, energy = 0.011309789419680001
Subsets of reactions
small: [‘2’, ‘1’, ‘8’]