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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 23-Apr-2026 | 16-Bis-C-TS_2-3-Ms | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | B3LYP | SDD 6-31G(D,P) GEN | -26620.7244248; Eh | ||||
| 23-Apr-2026 | 15-Bis-C-I2-Ms | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -26620.7248548; Eh | ||||
| 23-Apr-2026 | 13-Bis-C-I1-Ms | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -26620.7199403; Eh | ||||
| 23-Apr-2026 | 17-Bis-C-I3-Ms | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -26620.7292791; Eh | ||||
| 23-Apr-2026 | 19-TpMsCu-NCMe | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -2079.79209932; Eh | ||||
| 23-Apr-2026 | 26-Bis-C-TS_1-2-Br3-b | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | B3LYP | SDD 6-31G(D,P) GEN | -48578.0035139; Eh | ||||
| 23-Apr-2026 | 31-TpBrCF3_2CuNCMe | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -10767.2382075; Eh | ||||
| 23-Apr-2026 | 28-Bis-C-TS_2-3-Br3-b | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -48577.9936446; Eh | ||||
| 23-Apr-2026 | 27-Bis-C-I2-Br3-b | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -48578.0038547; Eh | ||||
| 23-Apr-2026 | 23-Bis-C-TS_2-3-Br3 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | B3LYP | SDD 6-31G(D,P) GEN | -48710.7907346; Eh |
Results 2311-2320 of 2385 (Search time: 0.001 seconds).
Discover
Subject