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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Jul-2022 | RRMnpdp-RC | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2913.5249475; Eh | |||
 | 28-Jul-2022 | RRMnpdp-TS18a | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2913.5133112; Eh | |||
 | 28-Jul-2022 | RRMnpdp-TS18b | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2913.5058282; Eh | |||
 | 28-Jul-2022 | SSMnpdp-RC | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2913.5267354; Eh | |||
 | 28-Jul-2022 | SSMnpdp-TS18a | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2913.5066787; Eh | |||
 | 28-Jul-2022 | dmbutanoic_IV-S1 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.3052734; Eh | |||
 | 28-Jul-2022 | dmbutanoic_IV-S2 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.3054363; Eh | |||
 | 28-Jul-2022 | dmbutanoic_TSII-III-S1 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.2796309; Eh | |||
 | 28-Jul-2022 | dmbutanoic_II-S2 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.3001318; Eh | |||
 | 28-Jul-2022 | dmbutanoic_III-S0 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVPP | -2609.2774234; Eh |
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