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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Apr-2024tC-DEA+6H2O_tdwb_tzvp_smdPearce, HarrisonGaussian; 16; ES64L-G16RevC.01Single point StructureRwB97XD; TD-FCTZVP-1733.6512117; Eh
thumbnail.jpeg18-Apr-2024tC-DEA+6H2O_tdwb_pc1_smdPearce, HarrisonGaussian; 16; ES64L-G16RevC.01Single point StructureRwB97XD; TD-FCGEN-1732.9313728; Eh
thumbnail.jpeg18-Apr-2024tCo-CN+6H2O_tdwb_tzvp_smdPearce, HarrisonGaussian; 16; ES64L-G16RevB.01Single point StructureRwB97XD; TD-FCTZVP-1290.3059231; Eh
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