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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CatalysisHub-WangTheory-aided2020 | CH3CH2CH3(g) + * -> CH3CH2CH3* | -0.312292 | [
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CatalysisHub-WangTheory-aided2020 | CH3CHCH2(g) + * -> CH3CHCH2* | -0.573131 | [
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CatalysisHub-WangTheory-aided2020 | CH3CH2CH3(g) + * -> CH3CH2CH3* | -0.203119 | [
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CatalysisHub-WangTheory-aided2020 | CH3CHCH2(g) + * -> CH3CHCH2* | -0.265513 | [
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CatalysisHub-WangTheory-aided2020 | CH3CCH(g) + * -> CH3CCH* | 0.011106 | [
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CatalysisHub-WangTheory-aided2020 | CH3CH2CH3(g) + * -> CH3CH2CH3* | -0.296053 | [
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CatalysisHub-WangTheory-aided2020 | CH3CHCH2(g) + * -> CH3CHCH2* | -0.617522 | [
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CatalysisHub-WangTheory-aided2020 | CH3CCH(g) + * -> CH3CCH* | -2.172467 | [
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CatalysisHub-WangTheory-aided2020 | CH3CH2CH3(g) + * -> CH3CH2CH3* | -0.297599 | [
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CatalysisHub-WangTheory-aided2020 | CH3CHCH2(g) + * -> CH3CHCH2* | -0.541657 | [
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CatalysisHub-WangTheory-aided2020 | CH3CCH(g) + * -> CH3CCH* | -1.407646 | [
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CatalysisHub-WangTheory-aided2020 | CH3CH2CH3(g) + * -> CH3CH2CH3* | -0.226275 | [
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CatalysisHub-WangTheory-aided2020 | CH3CHCH2(g) + * -> CH3CHCH2* | -0.732304 | [
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CatalysisHub-WangTheory-aided2020 | CH3CCH(g) + * -> CH3CCH* | -2.583041 | [
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CatalysisHub-WangTheory-aided2020 | CH3CH2CH3(g) + * -> CH3CH2CH3* | -0.306023 | [
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CatalysisHub-WangTheory-aided2020 | CH3CHCH2(g) + * -> CH3CHCH2* | -0.385324 | [
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CatalysisHub-WangTheory-aided2020 | CH3CCH(g) + * -> CH3CCH* | -1.940154 | [
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CatalysisHub-WangTheory-aided2020 | CH3CH2CH3(g) + * -> CH3CH2CH3* | -0.354855 | [
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CatalysisHub-WangTheory-aided2020 | CH3CHCH2(g) + * -> CH3CHCH2* | -0.836889 | [
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CatalysisHub-WangTheory-aided2020 | CH3CCH(g) + * -> CH3CCH* | -2.361447 | [
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