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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Apr-2023 | Int-I_16 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-31+G(D,P) | -2631.71906554; Eh | |||
 | 28-Apr-2023 | R-Int-II_6 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -2631.71536663; Eh | |||
 | 28-Apr-2023 | R-TS-I_24 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31+G(D,P) | -2631.69661814; Eh | |||
 | 28-Apr-2023 | R-Int-IV_2 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-31+G(D,P) | -2631.73486419; Eh | |||
 | 28-Apr-2023 | R-TS-III_56 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31+G(D,P) | -2631.69433446; Eh |
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