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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Aug-2016 | t13 | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3101.70999738; Eh | |||
 | 31-Aug-2016 | t14 | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3002.76943090; Eh | |||
 | 26-Sep-2016 | /Gold AInt2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); lanl2dz | -1793.95275464; Eh | |||
 | 26-Sep-2016 | /organic 2H2O | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d) | -152.749167364; Eh | |||
 | 31-Aug-2016 | t12-13 | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); SDD | -3101.67703302; Eh | |||
 | 31-Aug-2016 | t3-9 | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); SDD | -3002.75276848; Eh | |||
 | 31-Aug-2016 | t4-5 | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB97D | 6-31g(d); SDD | -3002.76438406; Eh | |||
 | 26-Sep-2016 | /Gold Adduct_B_gold | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); lanl2dz | -1793.92650156; Eh | |||
 | 26-Sep-2016 | /Gold ATS1_B | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); lanl2dz | -1793.92057979; Eh | |||
 | 26-Sep-2016 | /Gold ITS2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); lanl2dz | -1946.72660628; Eh |
Results 41-50 of 340 (Search time: 0.001 seconds).