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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/W05O17H1_intlindqvist W05O17H1_intlindqvist | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -7.43876329; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W12O42H2_intpara W12O42H2_intpara | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -18.47941202; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W06O21H1_intB W06O21H1_intB | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.22318533; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W06O20H1_intpara W06O20H1_intpara | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.68968161; Eh | |||
 | 1-Mar-2023 | /TransitionState_Calculations/cyclic_h1w3o11_ts1 cyclic_h1w3o11_ts1 | Petrus, Enric | ADF; 2019; 302 | Transition state | PBE | TZP | - | |||
 | 1-Mar-2023 | /Minima_Calculations/W03O10H2_intlineal2 W03O10H2_intlineal2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.25073323; 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/W12O42H0_intpara W12O42H0_intpara | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -18.33332906; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W12O40H0_intkeg W12O40H0_intkeg | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -17.41545207; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W07O23H1_int W07O23H1_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.96454956; Eh |
Results 47601-47610 of 104079 (Search time: 0.032 seconds).
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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