GMTKN55 MB16-43
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
Molecules
03 04 32 35 S2 34 33 05 P2 02 H2 MgH2 LiH BH3 O2 F2 NaH 20 18 27 11 29 16 42 28 17 10 19 26 21 AlH3 43 07 38 36 09 31 CH4 30 37 08 01 06 39 N2 BeH2 41 Cl2 SiH4 24 23 15 12 40 13 14 22 25
Reactions
1: 201 + 4H2 -> 4BH3 + 2N2 + 2O2 + F2 + 2NaH + 2AlH3 + Cl2, energy = 1.385791190779824
2: 202 + 6H2 -> 2LiH + 4BH3 + O2 + F2 + 2MgH2 + 2SiH4 + 2S2, energy = 1.17573762881256
3: 203 + 13H2 -> 2LiH + 6CH4 + O2 + F2 + 2NaH + 2MgH2 + 2AlH3 + S2, energy = 0.826533498226944
4: 204 + 17H2 -> 6BH3 + 2CH4 + O2 + F2 + 2AlH3 + 4SiH4, energy = 0.568673646021264
5: 205 + 4H2 -> 4BH3 + 2N2 + 2SiH4 + 4P2 + Cl2, energy = 0.23534752274323198
6: 206 + 10H2 -> 6BH3 + 2CH4 + N2 + O2 + 2MgH2 + 2AlH3, energy = 0.587232728391504
7: 207 + 7H2 -> 2BH3 + 4CH4 + N2 + O2 + 2F2 + 2MgH2 + S2 + Cl2, energy = 0.8892034684563841
8: 208 + 17H2 -> 2BeH2 + 6BH3 + 4CH4 + 2O2 + 2F2 + 2AlH3, energy = 1.086772119302112
9: 209 + 6H2 -> 2LiH + 4BH3 + 2CH4 + F2 + 2SiH4 + Cl2, energy = 0.607847556619344
10: 210 + 14H2 -> 2BH3 + 6CH4 + N2 + F2 + 2MgH2 + 2SiH4 + Cl2, energy = 0.073795379962512
11: 211 + 12H2 -> 4BH3 + 4CH4 + N2 + O2 + F2 + 2MgH2 + 2AlH3, energy = 0.469165506824352
12: 212 + 11H2 -> 4BH3 + 2CH4 + 2N2 + O2 + F2 + 4AlH3 + P2 + Cl2, energy = 0.722004558333168
13: 213 + 5H2 -> 4CH4 + 4N2 + 2O2 + 2MgH2 + 2S2, energy = 0.031672987980144
14: 214 + 9H2 -> 2LiH + 4BH3 + O2 + 4AlH3 + 2SiH4 + Cl2, energy = 0.61336046144088
15: 215 + 15H2 -> 4BH3 + 2CH4 + 2NaH + 2AlH3 + 4SiH4 + S2 + Cl2, energy = 0.34437105613838404
16: 216 + 19H2 -> 2LiH + 6BH3 + O2 + 4MgH2 + 2AlH3 + 4SiH4, energy = 0.520719947649648
17: 217 + 9H2 -> 4BH3 + 2CH4 + O2 + 3F2 + 2MgH2 + 2SiH4, energy = 1.0415669053340642
18: 218 + 4H2 -> 6BH3 + N2 + O2 + F2 + 2AlH3 + Cl2, energy = 0.92566092603984
19: 219 + 7H2 -> 2LiH + 4BH3 + O2 + F2 + 4AlH3 + 2P2 + S2, energy = 1.0590437729664
20: 220 + 11H2 -> 6BH3 + 4CH4 + 2N2 + 2F2 + P2, energy = 0.38693519443991997
21: 221 + 7H2 -> 2BH3 + 2O2 + 2NaH + 4MgH2 + 4AlH3 + Cl2, energy = 1.284801799044432
22: 222 + 3H2 -> 6BH3 + 2O2 + F2 + 2MgH2 + P2, energy = 1.125407233253328
23: 223 + 20H2 -> 8BH3 + 2CH4 + F2 + 2MgH2 + 4SiH4 + Cl2, energy = 0.343250276245632
24: 224 + 8H2 -> 2BH3 + O2 + 4F2 + 2AlH3 + 4SiH4 + S2, energy = 1.70617264892088
25: 25 + 5H2 -> 2BH3 + O2 + F2 + AlH3 + 2SiH4, energy = 0.5139211658261761
26: 226 + 8H2 -> 2BH3 + 2CH4 + 2O2 + 2MgH2 + 2AlH3 + 2SiH4 + P2, energy = 0.5954778628819201
27: 227 + 12H2 -> 2BH3 + 6CH4 + 2N2 + O2 + 2AlH3 + S2 + Cl2, energy = 0.183210939311904
28: 228 -> 4BH3 + 2N2 + O2 + F2 + 2AlH3, energy = 0.518113771854672
29: 229 + 9H2 -> 2LiH + 4BH3 + 2CH4 + N2 + 3F2 + 2SiH4 + S2, energy = 1.107717460468608
30: 230 + 12H2 -> 4LiH + 2BH3 + 2CH4 + 5F2 + 2AlH3 + 2SiH4 + S2, energy = 2.056918429539552
31: 231 + 8H2 -> 4BH3 + 2CH4 + O2 + F2 + 2AlH3 + 4P2 + Cl2, energy = 0.8524178883364321
32: 232 + 11H2 -> 2LiH + 6BH3 + N2 + 2F2 + 2AlH3 + 2SiH4 + S2, energy = 1.092544143717792
33: 233 + 6H2 -> 4BH3 + 2CH4 + 2N2 + F2 + 2AlH3 + 2S2, energy = 0.4983072182772
34: 234 + 10H2 -> 2BH3 + 2CH4 + N2 + 2O2 + F2 + 2MgH2 + 2AlH3 + 2SiH4 + P2, energy = 0.8577786042204479
35: 235 + 20H2 -> 2LiH + 4BH3 + 4CH4 + O2 + 4AlH3 + 2SiH4 + P2 + Cl2, energy = 0.363619689851712
36: 236 -> 3H2 + 2LiH + 2CH4 + N2 + 2O2 + F2 + P2 + Cl2, energy = 0.881022556104
37: 237 + 19H2 -> 8BH3 + 2CH4 + 2O2 + F2 + 2AlH3 + 2SiH4 + 2S2, energy = 1.0036250080092481
38: 238 + 12H2 -> 2BH3 + 2CH4 + 2N2 + F2 + 2AlH3 + 4SiH4 + P2 + S2, energy = 0.156482577879792
39: 239 + 5H2 -> 2LiH + 2BH3 + 4CH4 + 2F2 + 2NaH + Cl2, energy = 0.695454680262336
40: 240 + 26H2 -> 6BH3 + 6CH4 + N2 + 2AlH3 + 4SiH4, energy = -0.5784464068520639
41: 241 + 16H2 -> 4BH3 + 6CH4 + F2 + 2NaH + 2AlH3 + 2S2, energy = 0.255439809058896
42: 242 + 11H2 -> 4BH3 + 2CH4 + N2 + 2O2 + 2F2 + 4AlH3 + P2, energy = 1.202604633569952
43: 243 + 7H2 -> 2BH3 + 3N2 + O2 + F2 + 2AlH3 + 4SiH4, energy = 0.672449290514352