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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Jan-2024 | im3-cis | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | UB3LYP | DEF2SVP | -2466.42234456; Eh | |||
| 8-Jan-2024 | cisb | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2466.45679466; Eh | |||
| 8-Jan-2024 | im2-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5921096; Eh | |||
| 8-Jan-2024 | cisc-cisd-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.619555; Eh | |||
| 8-Jan-2024 | cisb-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.6244882; Eh | |||
| 8-Jan-2024 | trans-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.6288823; Eh | |||
| 8-Jan-2024 | im1-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5915684; Eh | |||
| 8-Jan-2024 | im2-cis | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | UB3LYP | DEF2SVP | -2466.42987391; Eh | |||
| 8-Jan-2024 | im4-cis | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | UB3LYP | DEF2SVP | -2466.42966873; Eh | |||
| 8-Jan-2024 | im3 | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2466.42507295; Eh |
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