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. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 21-Jun-2019 | /B2O4(C2H4)2 TS4CsC-B | Mateo, Anna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LanL2DZ; 6-311G** | -1289.40034268; Eh | |||
![]() | 21-Jun-2019 | /B2O4(C2H4)2 TS2 | Mateo, Anna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LanL2DZ; 6-311G** | -1827.39268439; Eh | |||
![]() | 21-Jun-2019 | /B2O4(C2H4)2 TS3CsB-C | Mateo, Anna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LanL2DZ; 6-311G** | -1289.41671489; Eh | |||
![]() | 21-Jun-2019 | /B2O4(C2H4)2 TS4CsB-O | Mateo, Anna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LanL2DZ; 6-311G** | -1289.42429991; Eh | |||
![]() | 21-Jun-2019 | /B2O4(C2H4)2 TS4CsO_B | Mateo, Anna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LanL2DZ; 6-311G** | -1289.42818600; Eh | |||
![]() | 30-Aug-2019 | TSadductCu | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -1412.37641201; Eh | |||
![]() | 30-Aug-2019 | TSpost | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -1697.35422489; Eh | |||
![]() | 30-Aug-2019 | TS3 | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -1577.46954819; Eh | |||
![]() | 30-Aug-2019 | TSCuadduct | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -835.678594430; Eh | |||
![]() | 30-Aug-2019 | TSpost2 | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | LANL2DZ 6-311G** GEN | -1697.35425345; Eh |
Results 11-20 of 45 (Search time: 0.001 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