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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2021/Relaxed_PES_Scans/4-tertbutoxybenzylium OtBu_Benzylium_Coarse_PES_ScanIeritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization-def2-TZVPP-503.19198901; Eh
thumbnail.jpeg5-May-2021/Relaxed_PES_Scans/4-ethoxybenzylium 4-ethyoxybenzylium_-_Coarse_PES_ScanIeritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization-def2-TZVPP-424.55228638; Eh
thumbnail.jpeg5-May-2021/Relaxed_PES_Scans/4-isopropoxybenzylium OiPr_Fine_PES_ScanIeritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization-def2-TZVPP-463.78469827; Eh
thumbnail.jpeg5-May-2021/Benzylpyridinium/DFT pOEt_BP_2Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization-def2-TZVPP-672.91570112; Eh
thumbnail.jpeg5-May-2021/BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Isopropylene_1Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization-def2-TZVPP-463.85176183; Eh
thumbnail.jpeg5-May-2021/BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Ethylene_2Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization-def2-TZVPP-424.52638097; Eh
thumbnail.jpeg5-May-2021/BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Ethylene_1Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization-def2-TZVPP-424.52634638; Eh
Results 1-7 of 7 (Search time: 0.001 seconds).