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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-May-2024/electro-Sn/Fe1Mn4/S0 S0-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10264.6446122; Eh
Login required18-May-2024/electro-Sn/Fe0Mn5/S4 S4-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10151.2513617; Eh
Login required18-May-2024/electro-Sn/Fe0Mn5/S3 S3-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10151.4453756; Eh
Login required18-May-2024/electro-Sn/Fe3Mn2/S3-3H S3-3H-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10489.5662653; Eh
Login required18-May-2024/electro-Sn/Fe3Mn2/S3-3I S3-3I-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10489.530937; Eh
Login required18-May-2024/electro-Sn/Fe3Mn2/S2-3E S2-3E-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10489.7235293; Eh
Login required18-May-2024/electro-Sn/Fe3Mn2/S2-3F S2-3F-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10489.721546; Eh
Login required18-May-2024/electro-Sn/Fe3Mn2/S2-3G S2-3G-tpsshPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP-10489.6900638; Eh
Login required18-May-2024/water-insertion/Fe2Mn3/S3H/TBP TBP-optPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point StructureUTPSShDEF2TZVP DEF2SVP GEN-10447.5110715; Eh
Login required18-May-2024/water-insertion/Fe2Mn3/S3H/TS1 TS1-optPhung, QuanGaussian; 16; ES64L-G16RevC.02Single point MinimumUTPSShDEF2TZVP DEF2SVP GEN-10447.4980958; Eh
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