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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.jpeg7-May-2021/NBO pOtBu_Ei_TS_NBOIeritano, ChristianGaussian; 16; ES64L-G16RevC.01Single point StructureRwB97XDDEF2TZVPP-
thumbnail.jpeg7-May-2021/NBO pOiPr_Ei_TS_NBOIeritano, ChristianGaussian; 16; ES64L-G16RevC.01Single point StructureRwB97XDDEF2TZVPP-
thumbnail.jpeg7-May-2021/NBO pOEt_Ei_TS_NBOIeritano, ChristianGaussian; 16; ES64L-G16RevC.01Single point StructureRwB97XDDEF2TZVPP-
Results 1-6 of 6 (Search time: 0.001 seconds).