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 | /wB97X-D TS1_benzofuran2 | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | LanL2DZ; 6-311G** | -1712.90717511; Eh | ||||
21-Jun-2019 | /wB97X-D TS1-pirrol | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | LanL2DZ; 6-311G** | -1693.07987212; Eh | ||||
21-Jun-2019 | /wB97X-D PreProd_O_B | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | LanL2DZ; 6-311G** | -1446.32805286; Eh | ||||
21-Jun-2019 | /wB97X-D B2pin2 | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G** | -822.527328853; Eh | ||||
21-Jun-2019 | /wB97X-D TS1-model | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | LanL2DZ; 6-311G** | -1014.98638504; Eh | ||||
21-Jun-2019 | /wB97X-D Int-Ni | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | LanL2DZ; 6-311G** | -1712.99761187; Eh | ||||
21-Jun-2019 | /wB97X-D Product | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | LanL2DZ; 6-311G** | -814.925707071; Eh | ||||
21-Jun-2019 | /wB97X-D TS3CsB-O | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | LanL2DZ; 6-311G** | -1446.27348492; Eh | ||||
21-Jun-2019 | /wB97X-D Prev-model | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | LanL2DZ; 6-311G** | -1014.99698831; Eh | ||||
21-Jun-2019 | /wB97X-D Int1-Ni | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | LanL2DZ; 6-311G** | -1015.04707058; Eh |
Results 21-30 of 194 (Search time: 0.002 seconds).
Discover
Subject
- 194 Homogeneous catalysis
- 111 Benzofuran
- 111 Borylations
- 111 Diboron activation
- 111 Nickel Catalysis
- 83 Borylation
- 65 Aryl Halides
- 65 Boranes
- 65 Copper
- 18 Aryl Halide
- next >