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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Jul-2022 | dmbutanoic_TSIII-IV_oxyl-S1 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.2606277; Eh | |||
 | 28-Jul-2022 | dmbutanoic_TSIII-IV_oxyl-S2 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.2586345; Eh | |||
 | 28-Jul-2022 | dmbutanoic_TSIV-IV_direct-S1 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.3054923; Eh | |||
 | 28-Jul-2022 | dmbutanoic_TSIV-IV_ohrebound-S1 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.2875018; Eh | |||
 | 28-Jul-2022 | dmbutanoic_TSV_carb-IV-S2 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.2586661; Eh | |||
 | 28-Jul-2022 | dmbutanoic_TSV_carb-IV-S1 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.258697; Eh | |||
 | 28-Jul-2022 | dmbutanoic_VII-S1 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.3757232; Eh | |||
 | 28-Jul-2022 | dmbutanoic_VII-S2 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.3956941; Eh | |||
 | 28-Jul-2022 | dmbutanoic_V_carb-S1 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.2772965; Eh | |||
 | 28-Jul-2022 | dmbutanoic_V_carb-S2 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.2773076; Eh |
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