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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Nov-2017 | /Subs_Diol/IC IC | González Fabra, Joan | ADF; 2016 | Geometry optimization Minimum | DFT | TZ2P | - | |||
 | 27-Oct-2017 | /DFT/Water 3_2_1 | Bandeira, Nuno | ADF; 2016 | Geometry optimization Minimum | DFT | TZP; DZP | -23.12908050; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_3 3_3_3 | Bandeira, Nuno | ADF; 2016 | Geometry optimization Minimum | DFT | TZP; DZP | -23.44427102; Eh | |||
 | 27-Oct-2017 | /DFT/Water 3_2_2 | Bandeira, Nuno | ADF; 2016 | Geometry optimization Minimum | DFT | TZP; DZP | -46.27586050; Eh | |||
 | 27-Oct-2017 | /DFT/Methanol 3 | Bandeira, Nuno | ADF; 2016 | Geometry optimization Minimum | DFT | TZP; DZP | -23.72240129; Eh | |||
 | 27-Oct-2017 | /DFT/Methanol 3_2_1 | Bandeira, Nuno | ADF; 2016 | Geometry optimization Minimum | DFT | TZP; DZP | -23.71919655; Eh | |||
 | 27-Oct-2017 | /DFT/Water 3_4_2 | Bandeira, Nuno | ADF; 2016 | Geometry optimization Minimum | DFT | TZP; DZP | -23.01897271; Eh | |||
 | 18-Oct-2017 | /Radical/Rad3 Rad3 | González Fabra, Joan | ADF; 2016 | Geometry optimization Minimum | DFT | TZ2P | - | |||
 | 18-Oct-2017 | /Radical/Rad1 Rad1 | González Fabra, Joan | ADF; 2016 | Geometry optimization Minimum | DFT | TZ2P | - | |||
 | 18-Oct-2017 | /Product Product | González Fabra, Joan | ADF; 2016 | Geometry optimization Minimum | DFT | TZ2P | - |
Results 31-40 of 140 (Search time: 0.002 seconds).