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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 ocrh2o5triplete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -544.379153333; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilno2zrome3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -828.823038293; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ohcrh2o5triplete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -544.828276217; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilomeyh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -766.291457210; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nhcyh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -645.910100875; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilclptph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1153.88053427; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nhczncl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1834.22405377; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2scuch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -636.665144880; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nhcznnh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -509.363383573; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilomegacl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1729.12888018; Eh |
Results 6581-6590 of 12842 (Search time: 0.006 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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