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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-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 | P1-A2H-OPT | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D,P) | -4057.25323031; Eh | |||
 | 6-Mar-2025 | P1-A1H-OPT | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D,P) | -4059.66897904; Eh | |||
 | 6-Mar-2025 | P2fjord-OPT | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D,P) | -3596.58809684; Eh | |||
 | 6-Mar-2025 | Perylene-OPT | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D,P) | -769.017662727; Eh | |||
 | 6-Mar-2025 | P2-OPT | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D,P) | -3596.59362109; 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-A2OMe-Emi | Berga, Cristina | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -4286.21642810; Eh | |||
 | 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 | P1-A1H-Emi | Berga, Cristina | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-31G(D,P) | -4059.65986801; Eh |
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