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CatalysisHub-WangTheory-aided2020
CH3CH2CH3(g) + * -> CH3CH2CH3*
-0.312292
[ 1, 1, 1 ]
{}
[]
[]
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[ -86982.27385980614 ]
[]
[]
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[ -607.4546218060475 ]
[]
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[ -87590.04077314943 ]
[]
[]
[]
[]
CatalysisHub-WangTheory-aided2020
CH3CHCH2(g) + * -> CH3CHCH2*
-0.573131
[ 1, 1, 1 ]
{}
[]
[]
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[ -86982.27385980614 ]
[]
[]
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[ -573.1095369227663 ]
[]
[]
[]
[]
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[ -87555.95652761044 ]
[]
[]
[]
[]
CatalysisHub-WangTheory-aided2020
CH3CCH(g) + * -> CH3CCH*
-2.499686
[ 1, 1, 1 ]
{}
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CatalysisHub-WangTheory-aided2020
CH3CH2CH3(g) + * -> CH3CH2CH3*
-0.203119
[ 1, 1, 1 ]
{}
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[ -51420.45989138655 ]
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CatalysisHub-WangTheory-aided2020
CH3CHCH2(g) + * -> CH3CHCH2*
-0.265513
[ 1, 1, 1 ]
{}
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CatalysisHub-WangTheory-aided2020
CH3CCH(g) + * -> CH3CCH*
0.011106
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{}
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[ -51351.053963443635 ]
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CatalysisHub-WangTheory-aided2020
CH3CH2CH3(g) + * -> CH3CH2CH3*
-0.296053
[ 1, 1, 1 ]
{}
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CatalysisHub-WangTheory-aided2020
CH3CHCH2(g) + * -> CH3CHCH2*
-0.617522
[ 1, 1, 1 ]
{}
[]
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[ -75547.84390346111 ]
[]
[]
[]
[]
CatalysisHub-WangTheory-aided2020
CH3CCH(g) + * -> CH3CCH*
-2.172467
[ 1, 1, 1 ]
{}
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CatalysisHub-WangTheory-aided2020
CH3CH2CH3(g) + * -> CH3CH2CH3*
-0.297599
[ 1, 1, 1 ]
{}
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[]
CatalysisHub-WangTheory-aided2020
CH3CHCH2(g) + * -> CH3CHCH2*
-0.541657
[ 1, 1, 1 ]
{}
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CatalysisHub-WangTheory-aided2020
CH3CCH(g) + * -> CH3CCH*
-1.407646
[ 1, 1, 1 ]
{}
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[ -87522.59044545867 ]
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CatalysisHub-WangTheory-aided2020
CH3CH2CH3(g) + * -> CH3CH2CH3*
-0.226275
[ 1, 1, 1 ]
{}
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CatalysisHub-WangTheory-aided2020
CH3CHCH2(g) + * -> CH3CHCH2*
-0.244129
[ 1, 1, 1 ]
{}
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[ -129731.0397085358 ]
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CatalysisHub-WangTheory-aided2020
CH3CCH(g) + * -> CH3CCH*
-0.201204
[ 1, 1, 1 ]
{}
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CatalysisHub-WangTheory-aided2020
CH3CH2CH3(g) + * -> CH3CH2CH3*
-0.304417
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{}
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[ -85555.06951706645 ]
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CatalysisHub-WangTheory-aided2020
CH3CHCH2(g) + * -> CH3CHCH2*
-0.732304
[ 1, 1, 1 ]
{}
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CatalysisHub-WangTheory-aided2020
CH3CCH(g) + * -> CH3CCH*
-2.583041
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{}
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[ -85488.15643801333 ]
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CatalysisHub-WangTheory-aided2020
CH3CH2CH3(g) + * -> CH3CH2CH3*
-0.306023
[ 1, 1, 1 ]
{}
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CatalysisHub-WangTheory-aided2020
CH3CHCH2(g) + * -> CH3CHCH2*
-0.385324
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{}
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[ -150529.50181305883 ]
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CatalysisHub-WangTheory-aided2020
CH3CCH(g) + * -> CH3CCH*
-1.940154
[ 1, 1, 1 ]
{}
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CatalysisHub-WangTheory-aided2020
CH3CH2CH3(g) + * -> CH3CH2CH3*
-0.354855
[ 1, 1, 1 ]
{}
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[ -80422.44477685745 ]
[]
[]
[]
[]
CatalysisHub-WangTheory-aided2020
CH3CHCH2(g) + * -> CH3CHCH2*
-0.836889
[ 1, 1, 1 ]
{}
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CatalysisHub-WangTheory-aided2020
CH3CCH(g) + * -> CH3CCH*
-2.361447
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