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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2021 | /Benzylpyridinium/DFT pOiPr_BP_2 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -712.23860476; Eh | |||
 | 5-May-2021 | /Benzylium/DFT pOiPr_Benzylium_2 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -463.87000923; Eh | |||
 | 5-May-2021 | /BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Isoproylene_5 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -463.85047846; Eh | |||
 | 5-May-2021 | /Benzylium/DFT pOtBu_Benzylium_1 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -503.19246378; Eh | |||
 | 5-May-2021 | /Benzylium/DFT pOEt_Benzylium_1 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -424.55231322; Eh | |||
 | 5-May-2021 | /Alkenes/DFT Isopropylene | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -117.91574454; Eh | |||
 | 5-May-2021 | /Pyridine Pyridine_-_DFT | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -248.29667074; Eh | |||
 | 5-May-2021 | /Benzylpyridinium/DFT pOEt_BP_1 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -672.91782341; Eh | |||
 | 5-May-2021 | /Benzylium/DFT pOiPr_Benzylium_3 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -424.55234150; Eh | |||
 | 5-May-2021 | /BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_t_butylene_2 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -503.17633408; Eh |
Results 21-30 of 30 (Search time: 0.001 seconds).