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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2025 | THDP-perylene-Emi | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -921.328159797; Eh | |||
 | 6-Mar-2025 | P1-A2Br-Abs | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -9199.66704036; Eh | |||
 | 6-Mar-2025 | THDP-perylene-Abs | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -921.336911839; Eh | |||
 | 6-Mar-2025 | P1-A2H-Abs | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -4057.25323031; Eh | |||
 | 6-Mar-2025 | Perylene-Emi | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -769.007459278; Eh | |||
 | 6-Mar-2025 | Perylene-Abs | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -769.017662727; Eh | |||
 | 6-Mar-2025 | P2-Abs | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -3596.59362108; Eh | |||
 | 6-Mar-2025 | P1-Abs | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -3597.78743874; Eh | |||
 | 6-Mar-2025 | P1-A2F-Emi | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -4255.67257792; Eh | |||
 | 6-Mar-2025 | P1-A2OMe-Emi | Berga, Cristina | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -4286.21642810; Eh |
Results 851-860 of 870 (Search time: 0.001 seconds).