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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 fenilclaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2207.80334466; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilclcucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -981.564094947; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilclgacl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -2074.19993938; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes chch2hgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -254.542126820; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nhcircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1130.15701136; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nhcnipf33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2320.24492129; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nhcfecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | UB3LYP | 6-31+g*; sdd | -1270.39424359; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nhcfeco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -803.557813359; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nhccuch3_2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -463.504505826; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nhccunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -592.791874892; Eh |
Results 7141-7150 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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