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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Jan-2021 | /Mo2-Substrate-Assited-Mech/Mo2-1wat H2O+MO-1W-Products | Sanchez-Gonzalez, Angel | ADF; 2018 | Geometry optimization | BP86 | TZP | -9.24001949; Eh | |||
 | 13-Jan-2021 | /Mo2-Substrate-Assited-Mech/Mo2-4wat H2O+Mo-4W-Reactants | Sanchez-Gonzalez, Angel | ADF; 2018 | Geometry optimization | BP86 | TZP | -10.86046639; Eh | |||
 | 13-Jan-2021 | /Mo2-Substrate-Assited-Mech/Mo2-4wat H2O+Mo-4w-Products | Sanchez-Gonzalez, Angel | ADF; 2018 | Geometry optimization | BP86 | TZP | -10.86833167; Eh | |||
 | 13-Jan-2021 | /W5-Substrate-Assisted-Mech W5O23-2NPP-H2O-Products | Sanchez-Gonzalez, Angel | ADF; 2019 | Geometry optimization | BP86 | TZP | -16.39697025; Eh | |||
 | 13-Jan-2021 | /W2-Substrate-Assisted-Mech/W2-1wat 1H2O+W2O8H4-pNPP-Products | Sanchez-Gonzalez, Angel | ADF; 2019 | Geometry optimization | BP86 | TZP | -9.37976693; Eh | |||
 | 13-Jan-2021 | /W2-Substrate-Assisted-Mech/W2-3wat 3H2O+W2O8H4-pNPP-Products | Sanchez-Gonzalez, Angel | ADF; 2019 | Geometry optimization | BP86 | TZP | -10.45792585; Eh |
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