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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Oct-2023 | /CF3PYP A4 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | CC-PVDZ | -6480.22453184; Eh | |||
 | 25-Oct-2023 | /CF3PYP A3 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | CC-PVDZ | -6480.23237845; Eh | |||
 | 25-Oct-2023 | /CF3PYP A2 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | CC-PVDZ | -6401.68396609; Eh | |||
 | 25-Oct-2023 | /CF3PYP A1 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | CC-PVDZ | -6514.99428794; Eh | |||
 | 25-Oct-2023 | /PathB TSB6B7 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | CC-PVDZ | -3714.47295750; Eh | |||
 | 25-Oct-2023 | /PathB B7 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | CC-PVDZ | -3714.47513545; Eh | |||
 | 25-Oct-2023 | /PathB B5 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | CC-PVDZ | -3487.88329336; Eh | |||
 | 25-Oct-2023 | /PathB B6 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | CC-PVDZ | -3714.48042911; Eh | |||
 | 25-Oct-2023 | /PathB TSB4B5 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | CC-PVDZ | -3487.86797896; Eh | |||
 | 25-Oct-2023 | /TPP TSA3A4 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | CC-PVDZ | -4410.36057931; Eh |
Results 51-60 of 71 (Search time: 0.001 seconds).