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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 30-Aug-2019 | TSdirecttransIrad | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | LANL2DZ 6-311G** GEN | -813.255599961; 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 | /M062X TS2-model | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | LanL2DZ; 6-311G** | -2140.99843259; Eh | |||
![]() | 21-Jun-2019 | /RealCat TS1 | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LanL2DZ; 6-311G** | -1713.55522412; Eh |
Results 31-40 of 56 (Search time: 0.002 seconds).
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Subject
- 56 Nickel
- 29 Borylation
- 27 Benzofuran
- 27 Borylations
- 27 Diboron activation
- 27 Nickel Catalysis
- 25 Aryl Halides
- 25 Boranes
- 25 Copper
- 4 Aryl Halide
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