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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Sep-2016 | /Gold ATS1_ | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); lanl2dz | -1793.92089820; Eh | |||
 | 26-Sep-2016 | /Silver IInt1 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); lanl2dz | -1804.26084176; Eh | |||
 | 26-Sep-2016 | /Silver IInt2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); lanl2dz | -1804.29182918; Eh | |||
 | 26-Sep-2016 | /Copper ATS1_B | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); lanl2dz | -1854.83099467; Eh | |||
 | 26-Sep-2016 | /Copper Adduct_B | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); lanl2dz | -1854.82588879; Eh | |||
 | 26-Sep-2016 | /Silver Adduct_A | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); lanl2dz | -1804.21171391; Eh | |||
 | 26-Sep-2016 | /Copper IInt1 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); lanl2dz | -1854.87405377; Eh | |||
 | 26-Sep-2016 | /Gold ATS2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); lanl2dz | -1793.93364135; Eh | |||
 | 26-Sep-2016 | /Silver ITS1 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); lanl2dz | -1804.20957200; Eh | |||
 | 26-Sep-2016 | /Copper ATS2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); lanl2dz | -1854.84661766; Eh |
Results 41-50 of 4310 (Search time: 0.003 seconds).