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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 bpincuch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -491.315726655; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cnnipf33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2186.95286208; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes clfecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1965.00639367; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes brznnh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -296.902100025; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cnzncl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1700.81881838; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes faucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -328.612385070; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cogacl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1496.13757974; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cnaucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -321.622894115; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes stame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -615.001751778; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cocuch3_2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -350.604311275; Eh |
Results 7221-7230 of 13266 (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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