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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Oct-2020 | TS_C70_beta | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06 | CC-PVTZ | -3851.0584416; Eh | |||
 | 25-Oct-2023 | /HFIPP TSA3A4 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | CC-PVDZ | -6082.92575633; Eh | |||
 | 25-Oct-2023 | /HFIPP A3 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | CC-PVDZ | -6082.94476101; Eh | |||
 | 25-Oct-2023 | /HFIPP A4 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | CC-PVDZ | -6082.94434623; Eh | |||
 | 25-Oct-2023 | /HFIPP HFIPP | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | CC-PVDZ | -2708.32362056; Eh | |||
 | 25-Oct-2023 | /HFIPP A2 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | CC-PVDZ | -6004.39510014; Eh | |||
 | 25-Oct-2023 | /HFIPP A1 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | CC-PVDZ | -6117.70693980; Eh | |||
 | 25-Oct-2023 | /PathA TSA7A8 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | CC-PVDZ | -3714.45945011; Eh | |||
 | 25-Oct-2023 | /PathA TSA5A6 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | CC-PVDZ | -3601.17095265; Eh | |||
 | 25-Oct-2023 | /PathA A7 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | CC-PVDZ | -3714.47109085; Eh |
Results 1-10 of 45 (Search time: 0.001 seconds).