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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 6-Mar-2025 | P1-A2H-Emi | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -4057.24409830; Eh | |||
![]() | 6-Mar-2025 | Diindenoperylene-Emi | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -1228.50048598; Eh | |||
![]() | 6-Mar-2025 | Dibenzoperiflanthene-Abs | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -1535.64669990; Eh | |||
![]() | 6-Mar-2025 | Diindenoperylene-Abs | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -1228.50966641; Eh | |||
![]() | 6-Mar-2025 | P1-A1H-Abs | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -4059.66897904; Eh | |||
![]() | 6-Mar-2025 | P2-Emi | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -3596.58454067; Eh | |||
![]() | 6-Mar-2025 | P1-Emi | Berga, Cristina | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -3597.77829696; Eh | |||
![]() | 6-Mar-2025 | P1-A2Br-Emi | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -9199.65794251; Eh | |||
![]() | 6-Mar-2025 | Dibenzoperiflanthene-Emi | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -1535.63753348; Eh | |||
![]() | 6-Mar-2025 | P1-A1H-Emi | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -4059.65986801; Eh |
Results 861-870 of 870 (Search time: 0.002 seconds).