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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 9-Nov-2018 | /vacuum/complexes fenilno2rhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -928.327915485; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -890.6619598; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-omosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1340.0257238; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3pdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -527.6797459; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1515.0103896; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-oalcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -1698.4880726; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -979.9283406; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilno2rush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2126.45580307; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nhcauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -704.9923484; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nhcnbnh24 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -506.9518622; Eh |
Results 15381-15390 of 104583 (Search time: 0.011 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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