Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Oct-2023 | /HFIPP TSA3A4 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | CC-PVDZ | -6082.92575633; 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 TSA3A4 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | CC-PVDZ | -3487.85447890; Eh | |||
 | 25-Oct-2023 | /CF3PYP TSA3A4 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | CC-PVDZ | -6480.21050897; 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 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 | |||
 | 25-Oct-2023 | /PathB TSA4B4 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | CC-PVDZ | -3487.86381304; Eh | |||
 | 25-Oct-2023 | /PathC TSC4C5 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | CC-PVDZ | -3487.86546197; Eh |
Results 1-10 of 11 (Search time: 0.0 seconds).