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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Dec-2018 | d01-a3pmo12-opt-pcm-1e_com | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Structure | UB3LYP | - | -4163.34850905; Eh | |||
| 10-Dec-2018 | d01-a3pmo12-opt-pcm_com | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Structure | RB3LYP | - | -4163.19533810; Eh | |||
| 24-Sep-2016 | Ag4-Pd13-nowat | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UB3LYP | - | -23109.1932097; Eh | |||
| 24-Sep-2016 | Ag4-Pd13-water-opt | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UB3LYP | - | -24026.5495118; Eh | |||
| 24-Sep-2016 | Ag2-Pd13-opt | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UB3LYP | - | -23276.4880449; Eh | |||
| 24-Sep-2016 | Ag1-Pd13-opt | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UB3LYP | - | -22901.4455916; Eh | |||
| 24-Sep-2016 | Ag3-Pd15-opt | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -9517.18803180; Eh | |||
| 24-Sep-2016 | MgPd12AgNa3_nowat-opt | Lang, Zhong Ling | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RB3LYP | - | -23232.4542874; Eh |
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