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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Mar-2022 | TS4a-4b | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1372.27700443; Eh | |||
 | 18-Mar-2022 | Ru(bpy)3 | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -1579.46071324; Eh | |||
 | 18-Mar-2022 | 3 | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1371.83549715; Eh | |||
 | 18-Mar-2022 | TS3-4a | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1890.23473587; Eh | |||
 | 18-Mar-2022 | adduct_3-HTEOA | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1890.26200906; Eh | |||
 | 18-Mar-2022 | HTEOA-cat | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -518.397573642; Eh |
Results 11-16 of 16 (Search time: 0.001 seconds).
Discover
Program name
- 16 Gaussian
Calculation type