GMTKN30 BHPERI
References
Molecules
00r 02r 02ts 03r 03ts 04r 04ts 05r 06ts 07r 07ts 08ts 09r 09ts 1-3-butadiene 13_c2h4 1-3-cyclopentadiene 1-3-pentadiene 13r_1 13r_2 13r_3 13r_4 13r_5 13r_6 13r_7 13r_8 13r_9 13ts_1a 13ts_2a 13ts_3a 13ts_4a 13ts_5a 13ts_6a 13ts_7a 13ts_8a 13ts_9a 1-5-hexadiene cis-1-3-5-hexatriene cis-triscyclopropacyclohexane cyclobutene ethylene ortho-xylylene ts11 ts1 ts2 ts3 ts4 ts5 ts6 ts7 ts8 ts9
Reactions
1: cyclobutene -> ts1 (1), energy = 0.05472427336857553
2: cis-1-3-5-hexatriene -> ts2 (2), energy = 0.04927415645184494
3: ortho-xylylene -> ts3 (3), energy = 0.04509892068522677
4: 1-3-pentadiene -> ts4 (4), energy = 0.06304287287305906
5: 1-3-cyclopentadiene -> ts5 (5), energy = 0.04490768851270991
6: 1-5-hexadiene -> ts6 (6), energy = 0.0567959552375082
7: 1-3-butadiene + ethylene -> ts7 (7), energy = 0.035282335829361154
8: 1-3-cyclopentadiene + ethylene -> ts8 (8), energy = 0.029099162251315935
9: 21-3-cyclopentadiene -> ts11 (9), energy = 0.015617294088877116
10: cis-triscyclopropacyclohexane -> ts9 (10), energy = 0.03752931385643429
11: 13r_1 + 13_c2h4 -> 13ts_1a (11), energy = 0.04191171780994573
12: 13r_2 + 13_c2h4 -> 13ts_2a (12), energy = 0.02884418602129345
13: 13r_3 + 13_c2h4 -> 13ts_3a (13), energy = 0.019441937539214367
14: 13r_4 + 13_c2h4 -> 13ts_4a (14), energy = 0.017688975957809792
15: 13r_5 + 13_c2h4 -> 13ts_5a (15), energy = 0.008446087619494766
16: 13r_6 + 13_c2h4 -> 13ts_6a (16), energy = 0.006374405750562088
17: 13r_7 + 13_c2h4 -> 13ts_7a (17), energy = 0.018326416532866003
18: 13r_8 + 13_c2h4 -> 13ts_8a (18), energy = 0.006374405750562088
19: 13r_9 + 13_c2h4 -> 13ts_9a (19), energy = -0.0022310420126967307
20: 02r + 00r -> 02ts (20), energy = 0.02387799805313116
21: 03r + 00r -> 03ts (21), energy = 0.0215609971788881
22: 04r + 00r -> 04ts (22), energy = 0.03156600946874033
23: 05r + 00r -> 06ts (23), energy = 0.04040499952268537
24: 07r + 00r -> 07ts (24), energy = 0.02884600272693236
25: 07r + 00r -> 08ts (25), energy = 0.028992008490648983
26: 09r + 00r -> 09ts (26), energy = 0.04473900580053566