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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/Mo2-2wat H20+Mo-2w-TS | Sanchez-Gonzalez, Angel | ADF; 2018 | Transition state | BP86 | TZP | -9.74952289; Eh | |||
 | 13-Jan-2021 | /W5-Substrate-Assisted-Mech W2O15-2NPP-H20-4wat-reactants | Sanchez-Gonzalez, Angel | ADF; 2019 | Geometry optimization | BP86 | TZP | -18.56113727; Eh | |||
 | 13-Jan-2021 | /W5-Substrate-Assisted-Mech W2O15-2NPP-H2O-4wat-Int | Sanchez-Gonzalez, Angel | ADF; 2019 | Geometry optimization | BP86 | TZP | -18.49798131; Eh | |||
 | 13-Jan-2021 | /W5-Substrate-Assisted-Mech W2O15-2NPP-H20-4wat-TS | Sanchez-Gonzalez, Angel | ADF; 2019 | Transition state | BP86 | TZP | -18.48646305; Eh | |||
 | 13-Jan-2021 | /W2-Substrate-Assisted-Mech/W2-2wat 2H2O+W2O8H4-pNPP-Reactants | Sanchez-Gonzalez, Angel | ADF; 2019 | Geometry optimization | BP86 | TZP | -9.93657870; Eh | |||
 | 13-Jan-2021 | /W2-Substrate-Assisted-Mech/W2-2wat 2H2O+W2O8H4-pNPP-TransitionState | Sanchez-Gonzalez, Angel | ADF; 2019 | Transition state | BP86 | TZP | -9.90657071; Eh |
Results 61-66 of 66 (Search time: 0.001 seconds).