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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Mar-2023 | /Minima_Calculations/W12O42H3_intpara2 W12O42H3_intpara2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -18.51165709; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W12O42H0_intpara W12O42H0_intpara | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -18.33332906; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W07O24H2_int2 W07O24H2_int2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.52637105; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W10O32H2_int W10O32H2_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.77792086; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W06O22H0_int W06O22H0_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.68197610; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W07O23H1_int W07O23H1_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.96454956; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W07O24H1_int W07O24H1_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.53967108; Eh | |||
 | 1-Mar-2023 | /TransitionState_Calculations/cyclic_h2w3o11_ts2 cyclic_h2w3o11_ts2 | Petrus, Enric | ADF; 2019; 302 | Transition state | PBE | TZP | - | |||
 | 1-Mar-2023 | /TransitionState_Calculations/h2w4o14_ts2 h2w4o14_ts2 | Petrus, Enric | ADF; 2019; 302 | Transition state | PBE | TZP | - | |||
 | 1-Mar-2023 | /Minima_Calculations/W02O7H2_int/W02O7H2_int2 W02O7H2_int2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.00719458; Eh |
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