publication
string | equation
string | reaction_energy
float64 | miller_index
list | sites
string | other_structure
list | other_structure_energy
list | reactant_slab
list | reactant_slab_energy
list | product_slab
list | product_slab_energy
list | reactant_molecule
list | reactant_molecule_energy
list | product_molecule
list | product_molecule_energy
list | reactant_adslab
list | reactant_adslab_energy
list | product_adslab
list | product_adslab_energy
list | reactant_other
list | reactant_other_energy
list | product_other
list | product_other_energy
list | __index_level_0__
int64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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|
[
0,
0,
0
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{}
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[] |
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[] |
[] |
[] |
[] | 35
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
| -0.043727
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[
1,
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1
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{}
|
[] |
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[] | 36
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
| -0.846191
|
[
0,
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{}
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[] |
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[] | 39
|
CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
1,
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{}
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[] |
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[] |
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[] | 40
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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{}
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[] | 43
|
CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
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{}
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[] |
[] | 45
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
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[
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[] |
[] |
[] |
[] | 46
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
| -0.043727
|
[
1,
1,
1
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{}
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[] |
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[
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[] |
[] |
[] |
[] |
[
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[
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[] |
[] |
[] |
[] | 48
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
| -0.846191
|
[
0,
0,
0
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{}
|
[] |
[] |
[
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[
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[] |
[] |
[] |
[] |
[
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[
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[] |
[] |
[] |
[] | 51
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
| -0.083751
|
[
1,
1,
1
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{}
|
[] |
[] |
[
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[] |
[] |
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[] |
[] |
[] |
[] | 52
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
| -0.92973
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[
0,
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{}
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[] |
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
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[] | 58
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[] | 60
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[] |
[] |
[] |
[] | 62
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
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[
1,
1,
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[] |
[] |
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[] |
[] |
[] |
[] | 63
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
| -0.3542
|
[
1,
1,
1
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{}
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[] |
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[] |
[] |
[] |
[] | 65
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
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[
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[
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[] |
[] |
[] |
[] | 67
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
| -0.624529
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[
1,
1,
0
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{}
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[] |
[] |
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[
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[] |
[] |
[] |
[] | 68
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
| 0.355377
|
[
1,
1,
1
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{}
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[] |
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[
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[] |
[] |
[] |
[] | 70
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
| -0.773031
|
[
1,
1,
0
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{}
|
[] |
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[] |
[] |
[] |
[] | 72
|
CatalysisHub-BalzarettiDensity2024
|
0.5H2(g) + * -> H*
| -0.364441
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[
1,
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{}
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
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[] | 75
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
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{}
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[] | 77
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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CatalysisHub-HansenFirst2018
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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[] | 86
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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[] | 89
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CatalysisHub-HansenFirst2018
|
H2(g) + 2.0* -> 2.0H*
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[] | 95
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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[
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{}
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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[] | 109
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CatalysisHub-HansenFirst2018
|
H2(g) + 2.0* -> 2.0H*
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[] |
[] |
[] |
[] | 115
|
CatalysisHub-HansenFirst2018
|
H2(g) + 2.0* -> 2.0H*
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[] | 118
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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[] | 120
|
CatalysisHub-HansenFirst2018
|
H2(g) + 2.0* -> 2.0H*
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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CatalysisHub-HansenFirst2018
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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[] | 139
|
CatalysisHub-HansenFirst2018
|
H2(g) + 2.0* -> 2.0H*
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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[] | 144
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CatalysisHub-HansenFirst2018
|
H2(g) + 2.0* -> 2.0H*
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[
1,
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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[] | 174
|
CatalysisHub-HansenFirst2018
|
H2(g) + 2.0* -> 2.0H*
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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[] | 181
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CatalysisHub-HansenFirst2018
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H2(g) + 2.0* -> 2.0H*
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[] | 184
|
CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 187
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CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
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[
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[
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[] |
[] |
[] |
[] | 189
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
| 0.095781
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[
1,
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[] |
[] |
[] |
[] | 190
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
| -0.213723
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[
1,
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[] |
[] |
[] | 194
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
| -0.176323
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[
1,
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 201
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CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 204
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] |
[] | 209
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
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[
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[] |
[] |
[] |
[] | 214
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
| -0.131936
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[
1,
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[] | 215
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 217
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
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[] | 218
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[
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[] | 219
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
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[
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[] | 220
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[
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[] |
[] |
[] |
[] | 222
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
| 0.505599
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[
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[] |
[] |
[] | 223
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CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] |
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[] |
[] | 230
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
| 0.709006
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[
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[] |
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[] |
[] | 231
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
| -0.176564
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[
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[] | 232
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
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[
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 234
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CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 238
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CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
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[
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[] | 239
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
| -0.126653
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[
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 241
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CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
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[
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[
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[] |
[] |
[] |
[] | 243
|
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
| -0.86735
|
[
1,
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[
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[] |
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[
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[
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[] |
[] |
[] |
[] | 244
|
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