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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Jul-2018 | /ADF/ADF_P1/Int Int | Petrus, Enric | ADF; 2016 | Geometry optimization Minimum | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P1/NO3 NO3 | Petrus, Enric | ADF; 2016 | Geometry optimization Minimum | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P1/Py Py | Petrus, Enric | ADF; 2016 | Geometry optimization Minimum | DFT | TZP | -2.57743863; Eh | |||
 | 22-Jul-2018 | /ADF/ADF_P1/HNO3 HNO3 | Petrus, Enric | ADF; 2016 | Geometry optimization Minimum | DFT | TZP | - | |||
 | 30-Apr-2019 | /OO_O/isodesmic_pair/nbo2 nbo2 | Petrus, Enric | ADF; 2016 | Geometry optimization Minimum | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P1/Product Product | Petrus, Enric | ADF; 2016 | Geometry optimization Minimum | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P1/H2 H2 | Petrus, Enric | ADF; 2016 | Geometry optimization Minimum | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P1/Water Water | Petrus, Enric | ADF; 2016 | Geometry optimization Minimum | DFT | TZP | - |
Results 11-18 of 18 (Search time: 0.002 seconds).