Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Jan-2019 | Ni-cod2 | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -793.6694311; Eh | ||||
24-Jan-2019 | _Ru(bpy)3_2+_singlet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -1580.4263952; Eh | ||||
24-Jan-2019 | /Rearrangement-Deproton-Oxidation 13 | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -1769.0526315; Eh | ||||
24-Jan-2019 | /Rearrangement-Deproton-Oxidation 14 | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2083.6668938; Eh | ||||
24-Jan-2019 | /Rearrangement-Deproton-Oxidation 5 | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2095.7309173; Eh | ||||
24-Jan-2019 | 1-octene | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -314.5914494; Eh | ||||
24-Jan-2019 | /Rearrangement-Deproton-Oxidation 6 | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2083.692716; Eh | ||||
24-Jan-2019 | /Rearrangement-Deproton-Oxidation 4 | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -2095.7334151; Eh | ||||
24-Jan-2019 | 2-iodoacetanilide | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -451.2049853; Eh | ||||
24-Jan-2019 | product | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311++G** | -753.8312113; Eh |
Results 1-10 of 39 (Search time: 0.002 seconds).