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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M23Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2082.05413078; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M12Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2058.81371869; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M24Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2080.49903346; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M30Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-1810.40231233; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M29Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2001.98242373; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M28Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-1888.92259680; Eh
thumbnail.jpeg1-Dec-2022ACtsIRCF_Lup20catShiftTSircF_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01Single point Structure-6-31+G(D,P)-1248.68847142; Eh
thumbnail.jpeg14-Sep-2022/PBE0 PBE0_TSaOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureUPBE1PBESDD 6-31+G(D,P) 6-31G(D,P) GEN-1640.57481744; Eh
thumbnail.jpeg7-Dec-2021cyclohexLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-202115Laconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
Results 3451-3460 of 7763 (Search time: 0.005 seconds).