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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 nhcfecl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1730.91843048; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ncsincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1413.46436175; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nhcaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1742.68612406; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nh3hgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -233.042006219; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nh3cuch3_2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -293.855212432; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes izrome3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -404.140694531; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nchhgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -269.898125394; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cchnipf33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2170.83038357; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nchfecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1598.23038269; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes cchniph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -590.885379471; Eh |
Results 6631-6640 of 12842 (Search time: 0.007 seconds).
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- 748 Reaction mechanisms
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- 684 Homogeneous catalysis
- 529 Copper
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- 294 Imine Condensation
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