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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-May-2024 | C6H6OH-m-H+-syn-H2O | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | AUG-CC-PVTZ | -384.380487740; Eh | |||
| 31-May-2024 | C6H6OH-o-H+-syn-H2O | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | AUG-CC-PVTZ | -384.403199081; Eh | |||
| 31-May-2024 | H2O+ | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | AUG-CC-PVTZ | -76.0003009278; Eh | |||
| 31-May-2024 | HO | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | AUG-CC-PVTZ | -75.7685986671; Eh | |||
| 31-May-2024 | C6H6OH-o-H+-anti-H2O | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | AUG-CC-PVTZ | -384.405153075; Eh | |||
| 31-May-2024 | C6H7+_H2O2 | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | AUG-CC-PVTZ | -384.269041986; Eh | |||
| 31-May-2024 | H3O2 | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | AUG-CC-PVTZ | -152.243546198; Eh | |||
| 31-May-2024 | C6H6+ | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | AUG-CC-PVTZ | -232.000267435; Eh | |||
| 31-May-2024 | C6H5OH-i-H+ | Løyland, Sverre | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | AUG-CC-PVTZ | -307.867555016; Eh | |||
 | 13-Dec-2023 | 1-2-3S_5CN_10X_B12I7SCN_1-_R | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | DEF2TZVPP | -2874.61098713; Eh |
Results 161-170 of 248 (Search time: 0.002 seconds).