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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-fenilk | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -259.9357261; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-fznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -366.9453468; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes xegacl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1398.35325374; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes xefecl3bai | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | UB3LYP | 6-31+g*; sdd | -1520.19216072; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-fenilircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1135.7437193; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-fenilpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1046.4776096; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-fenilrush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1921.8934663; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-conbnh24 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -394.0276887; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ftame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -316.5751523; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-fenilznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -498.7039133; Eh |
Results 21511-21520 of 103542 (Search time: 0.013 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
- 3932 Copper
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