GMTKN30 DARC

References

doi: https://doi.org/10.1021/ct900489g

Molecules

butadiene chdiene cpdiene ethene ethine furane maleinnh malein p10 p10x p1 p2 p3 p4 p5 p6 p7 p7x p8 p8x p9 p9x

Reactions

1: ethene + butadiene -> p1 (1), energy = -0.06979974296865486

2: ethine + butadiene -> p2 (2), energy = -0.09450056525208295

3: ethene + cpdiene -> p3 (3), energy = -0.04780804312921566

4: ethine + cpdiene -> p4 (4), energy = -0.05274820758590128

5: ethene + chdiene -> p5 (5), energy = -0.058166452473879054

6: ethine + chdiene -> p6 (6), energy = -0.07681158929427316

7: furane + malein -> p7 (7), energy = -0.022947860702023516

8: furane + malein -> p7x (8), energy = -0.025816343289776455

9: furane + maleinnh -> p8 (9), energy = -0.027409944727416976

11: cpdiene + malein -> p9 (11), energy = -0.050357805429440496

12: cpdiene + malein -> p9x (12), energy = -0.051154606148260756

13: cpdiene + maleinnh -> p10 (13), energy = -0.0543418090235418

14: cpdiene + maleinnh -> p10x (14), energy = -0.05481988945483395