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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 shalcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -2022.18130639; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes sih3-ircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1195.41367047; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes sime3conh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -837.520329166; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes pme3oso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -776.760920899; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes sih3-ticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1730.41952342; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes pf3znch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -907.766142386; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes sk | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -426.534571581; Eh | ||||
![]() | 1-Sep-2023 | Cplx2 | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1127.4823263; Eh | |||
| 9-Nov-2018 | /vacuum/complexes pme3ircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1365.04962586; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes pme3cunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -827.684601535; Eh |
Results 7311-7320 of 13266 (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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