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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-May-2024 | C6H6_scan | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | AUG-CC-PVTZ | -232.227175; Eh | |||
| 21-Mar-2024 | /Ligand_Substituent_Effects_Polyoxometalates/V6_Ad_isomer V6-Ad_ADE | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVPP | - | |||
 | 8-Jan-2024 | cisb-cisc-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.6196978; Eh | |||
 | 8-Jan-2024 | cisa-cisb-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.6235367; Eh | |||
 | 8-Jan-2024 | cisb-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.6244882; Eh | |||
 | 8-Jan-2024 | cisa-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.6286784; Eh | |||
 | 8-Jan-2024 | im2-cis-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5957969; Eh | |||
 | 8-Jan-2024 | im1-trans-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5905738; 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 | cisd-cis-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.618912; Eh |
Results 611-620 of 626 (Search time: 0.002 seconds).