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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Jul-2021 | V03O10_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.52620409; Eh | |||
| 28-Jul-2021 | V04O12_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.33475892; Eh | |||
| 28-Jul-2021 | V04O12_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.32789309; Eh | |||
| 28-Jul-2021 | V03O10_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.50032053; Eh | |||
| 28-Jul-2021 | V05O14_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.10054227; Eh | |||
| 28-Jul-2021 | V04O12_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.33549087; Eh | |||
| 28-Jul-2021 | V04O13_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.82481717; Eh | |||
| 28-Jul-2021 | V04O13_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.75773041; Eh | |||
| 28-Jul-2021 | V01O5_5H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.36305573; Eh | |||
| 26-Aug-2024 | geom7_nox3_w6_opt | García-Padilla, Eduardo | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RBP86 | 6-31G(D) | -1429.10897365; Eh |
Results 58961-58970 of 104126 (Search time: 0.037 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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