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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/UO2_2NO3_2H2O UO2_2NO3_2H2O | Petrus, Enric | ADF; 2016 | Geometry optimization TS | DFT | TZP | - | ||||
22-Jul-2018 | /ADF/ADF_P1/UO2_NO3_2H2O UO2_NO3_2H2O | Petrus, Enric | ADF; 2016 | Geometry optimization TS | 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_P303/UO2_2NO3_2H2O UO2_2NO3_2H2O | Petrus, Enric | ADF; 2016 | Single point TS | DFT | TZP | - | ||||
22-Jul-2018 | /ADF/ADF_P303/UO2_OH_NO3_H2O UO2_OH_NO3_H2O | Petrus, Enric | ADF; 2016 | Single point TS | DFT | TZP | - | ||||
22-Jul-2018 | /ADF/ADF_P303/Product Product | Petrus, Enric | ADF; 2016 | Single point Minimum | DFT | TZP | - | ||||
22-Jul-2018 | /ADF/ADF_P303/Int Int | Petrus, Enric | ADF; 2016 | Single point Minimum | DFT | TZP | - | ||||
22-Jul-2018 | /ADF/ADF_P303/Water Water | Petrus, Enric | ADF; 2016 | Single point Minimum | DFT | TZP | - |
Results 21-30 of 123 (Search time: 0.001 seconds).