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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
7-Feb-2018 | /SpinOrbit/PrGd_NoLigands/Exp Exp | González Fabra, Joan | ADF; 2017 | Single point | DFT | TZP | - | ||||
7-Feb-2018 | /SpinOrbit/PrLu/Inv Inv | González Fabra, Joan | ADF; 2017 | Single point | DFT | TZP | - | ||||
7-Feb-2018 | /B3LYP/LaPr_NoLigands/Inv/FAIL FAIL | González Fabra, Joan | ADF; 2017 | Single point | DFT | TZP | - | ||||
7-Feb-2018 | /SpinOrbit/LaPr_NoLigands/Exp Exp | González Fabra, Joan | ADF; 2017 | Single point | DFT | TZP | - | ||||
7-Feb-2018 | /B3LYP/LaPr/Exp/Mixing Mixing | González Fabra, Joan | ADF; 2017 | Single point | DFT | TZP | - | ||||
7-Feb-2018 | /SpinOrbit/PrGd/Inv Inv | González Fabra, Joan | ADF; 2017 | Single point | DFT | TZP | - | ||||
7-Feb-2018 | /B3LYP/PrGd/Inv Inv | González Fabra, Joan | ADF; 2017 | Single point | DFT | TZP | - | ||||
7-Feb-2018 | /B3LYP/LaPr_NoLigands/Inv Inv | González Fabra, Joan | ADF; 2017 | Single point | DFT | TZP | - | ||||
7-Feb-2018 | /B3LYP/PrLu/Inv/Restart Restart | González Fabra, Joan | ADF; 2017 | Single point | DFT | TZP | - | ||||
7-Feb-2018 | /B3LYP/PrGd_NoLigands/Exp Exp | González Fabra, Joan | ADF; 2017 | Single point | DFT | TZP | - |
Results 1-10 of 29 (Search time: 0.002 seconds).