Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 30-Aug-2019 | TSLCuBpin | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -1265.45259538; Eh | |||
![]() | 30-Aug-2019 | TSdirectransCuPCs | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -1262.80245091; Eh | |||
![]() | 30-Aug-2019 | TS-Cu-3-Bpin | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -1242.95140279; Eh | |||
![]() | 30-Aug-2019 | TS2-Cu-3-Bpin | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -1242.97006040; Eh | |||
![]() | 30-Aug-2019 | TSdirecttransI | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -793.336510929; Eh | |||
![]() | 30-Aug-2019 | TS-Cu3 | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -1088.80445535; Eh | |||
![]() | 30-Aug-2019 | TSdirectransCuFBP | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -1362.85085869; Eh | |||
![]() | 30-Aug-2019 | TSLCuBpinCs | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -1285.28414845; Eh | |||
![]() | 30-Aug-2019 | TS2Cu3Cs | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -1262.78718961; Eh | |||
![]() | 21-Jun-2019 | /B2O4(C2H4)2 TS1 | Mateo, Anna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LanL2DZ; 6-311G** | -1015.33408349; Eh |
Results 31-40 of 45 (Search time: 0.002 seconds).
Discover
Subject
- 34 Borylation
- 24 Aryl Halides
- 24 Boranes
- 24 Copper
- 21 Benzofuran
- 21 Diboron activation
- 11 Borylations
- 11 Nickel Catalysis
- 10 Nickel catalysis