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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Jul-2021 | V03O09_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.99664239; Eh | |||
 | 29-Jul-2021 | V02O7_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.17552399; Eh | |||
 | 29-Jul-2021 | V02O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.13586289; Eh | |||
 | 29-Jul-2021 | Ta24O72_10H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -34.38547138; Eh | |||
 | 29-Jul-2021 | Ta5O14_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.57729082; Eh | |||
 | 29-Jul-2021 | Ta5O14_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.56565112; Eh | |||
 | 29-Jul-2021 | Ta3O10_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.72458468; Eh | |||
 | 29-Jul-2021 | Ta4O12_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.64185413; Eh | |||
 | 29-Jul-2021 | Ta4O12_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.63759485; Eh | |||
 | 29-Jul-2021 | H4O2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.06528563; Eh |
Results 63281-63290 of 104471 (Search time: 0.038 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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