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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2021 | /Relaxed_PES_Scans/4-ethoxybenzylium 4-ethyoxybenzylium_-_Coarse_PES_Scan | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization | - | def2-TZVPP | -424.55228638; Eh | |||
 | 5-May-2021 | /Relaxed_PES_Scans/4-tertbutoxybenzylium OtBu_Benzylium_Coarse_PES_Scan | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization | - | def2-TZVPP | -503.19198901; Eh | |||
 | 5-May-2021 | /Relaxed_PES_Scans/4-isopropoxybenzylium OiPr_Fine_PES_Scan | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization | - | def2-TZVPP | -463.78469827; Eh | |||
 | 5-May-2021 | /BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Isopropylene_1 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization | - | def2-TZVPP | -463.85176183; Eh | |||
 | 5-May-2021 | /Benzylpyridinium/DFT pOEt_BP_2 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization | - | def2-TZVPP | -672.91570112; Eh | |||
 | 5-May-2021 | /BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Ethylene_2 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization | - | def2-TZVPP | -424.52638097; Eh | |||
 | 5-May-2021 | /BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Ethylene_1 | Ieritano, Christian | Orca; 4.2.1; RELEASE | Geometry optimization | - | def2-TZVPP | -424.52634638; Eh |
Results 1-7 of 7 (Search time: 0.001 seconds).