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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Oct-2022 | h3 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RHF | AUG-CC-PVDZ | -3.2566655; Eh | |||
 | 18-Oct-2022 | PMI4-NH2-NO2 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RHF | AUG-CC-PVDZ | -631.2798044; Eh | |||
 | 18-Oct-2022 | PDA3-NH2-CHO | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RHF | AUG-CC-PVDZ | -703.5587681; Eh | |||
 | 18-Oct-2022 | PDA3-NH2-NO2 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RHF | AUG-CC-PVDZ | -794.315615; Eh | |||
 | 18-Oct-2022 | PDA3-OH-CHO | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RHF | AUG-CC-PVDZ | -723.3859079; Eh | |||
 | 18-Oct-2022 | c8h18 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RHF | AUG-CC-PVDZ | -313.4687535; Eh | |||
 | 18-Oct-2022 | ch4 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RHF | AUG-CC-PVDZ | -40.199428; Eh | |||
 | 18-Oct-2022 | PDA3-OH-NO2 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RHF | AUG-CC-PVDZ | -814.1424807; Eh | |||
 | 18-Oct-2022 | PA2-NH2-NO2 | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RHF | AUG-CC-PVDZ | -336.5978934; Eh | |||
 | 18-Oct-2022 | PA2-OH-CHO | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RHF | AUG-CC-PVDZ | -265.6654988; Eh |
Results 31-40 of 252 (Search time: 0.0 seconds).
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- 230 RHF
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- 8 UCAM-B3LYP
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