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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Sep-2024 | /Mec_Figure2_S8-F_anion f8-int3 | Nuñez, Gonzalo | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GEN | -819.790792677; Eh | |||
| 9-Sep-2024 | /Sulfure_activation_structures s2_singlet | Nuñez, Gonzalo | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GEN | -796.279781395; Eh | |||
| 9-Sep-2024 | /Mec_Figure-S9_S8-triplet s8-singlet-INT2o | Nuñez, Gonzalo | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GEN | -3606.95062437; Eh |
Results 91-93 of 93 (Search time: 0.0 seconds).