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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 9-Jun-2025 | vii5_7MeOct_OCHO | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.25826743479; Eh | |||
![]() | 9-Jun-2025 | vii5_7MeOct_OMs | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.52828473796; Eh | |||
![]() | 9-Jun-2025 | vii5_7MeOct_OH | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.19595099713; Eh | |||
![]() | 9-Jun-2025 | vii5_3MeOct_OAc | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.27116605946; Eh | |||
![]() | 9-Jun-2025 | vii5_3MeOct_OCO2Me | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.33977990802; Eh | |||
![]() | 9-Jun-2025 | vii5_7MeOct_OCO2Me | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.33453857420; Eh | |||
![]() | 9-Jun-2025 | vii5_7MeOct_Cl | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.15571486865; Eh | |||
![]() | 9-Jun-2025 | vii5_7MeOct_Br | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.28187744891; Eh | |||
![]() | 9-Jun-2025 | vii5_7MeOct_OTs | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -21.5396908294; Eh | |||
![]() | 9-Jun-2025 | vii5_7MeOct_OAc | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.28412695186; Eh |
Results 3071-3080 of 3306 (Search time: 0.005 seconds).