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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-trans | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | UB3LYP | DEF2SVP | -2466.42338779; Eh | |||
 | 8-Jan-2024 | im4-trans | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | UB3LYP | DEF2SVP | -2466.42472851; Eh | |||
 | 8-Jan-2024 | im4-cis | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | UB3LYP | DEF2SVP | -2466.42966873; Eh | |||
 | 31-May-2024 | C6H6OH-i_Ox-H+-H2O | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UB3LYP | AUG-CC-PVTZ | -384.315972370; Eh | |||
| 31-May-2024 | C6H6OH-Ox_o-H+-anti-H2O | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UB3LYP | AUG-CC-PVTZ | -384.312524010; Eh | |||
| 31-May-2024 | C6H6OH-i_o-H+-syn-H2O | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UB3LYP | AUG-CC-PVTZ | -384.355555325; Eh | |||
| 31-May-2024 | C6H5OH-Ox_o-H+ | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UB3LYP | AUG-CC-PVTZ | -307.815581444; Eh | |||
| 31-May-2024 | H2O2-H+-C6H6 | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UB3LYP | AUG-CC-PVTZ | -384.259133574; Eh | |||
| 31-May-2024 | C6H6-i_o-OH+ | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UB3LYP | AUG-CC-PVTZ | -307.836837921; Eh |
Results 41-49 of 49 (Search time: 0.001 seconds).