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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 pOEt_BP_3 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -672.91555966; 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 | /BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Isopropylene_3 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -463.85139431; Eh | |||
 | 5-May-2021 | /Carbocations/DFT Isopropylium | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -118.21737916; Eh | |||
 | 5-May-2021 | /Benzylpyridinium/DFT pOtBu_BP | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -751.55336216; Eh | |||
 | 5-May-2021 | /Benzylium/DFT pOEt_Benzylium_2 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -424.55092588; Eh | |||
 | 5-May-2021 | /Carbocations/DFT tert-butylium | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -157.56334314; 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 | /Benzylium/DFT pOiPr_Benzylium_3 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -424.55234150; Eh | |||
 | 5-May-2021 | /Benzylium/DFT pOEt_Benzylium_3 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -424.55234150; Eh |
Results 11-20 of 30 (Search time: 0.001 seconds).