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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 9-Nov-2018 | /noDisp/complexes sin-scnnbnh24 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -771.983533; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-scnrush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2181.3360326; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-shauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -877.7737879; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2niph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -515.2563805; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-scnwco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1125.0633504; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-scnmno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -820.9771431; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-scnircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1395.1639103; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinatame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -464.7397849; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinaticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1687.2009789; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinaznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -515.1456284; Eh |
Results 14381-14390 of 104583 (Search time: 0.04 seconds).
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3954 Copper
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