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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 nh3crh2o5triplete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -525.240248159; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nh3zrome3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -449.030688414; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ncszrome3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -883.756963697; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nh3gacl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1439.42052320; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nh3ptph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -519.149848920; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cchzncl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1684.68815514; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nhccucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -516.471271847; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cchznnh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -360.224831101; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nchcrh2o5triplete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -562.115624103; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nchnipf33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2187.43892138; Eh |
Results 7161-7170 of 12842 (Search time: 0.007 seconds).
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- 748 Reaction mechanisms
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- 684 Homogeneous catalysis
- 529 Copper
- 372 Cross-coupling
- 327 Photocatalysis
- 322 Halides
- 322 Nickel
- 310 C-H activation
- 294 Imine Condensation
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