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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Sep-2021SCO_B3LYPSTAR_S3_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUBLYPDEF2TZVP-2852.89971016; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S7_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUBLYPDEF2TZVP-5100.69107469; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S18_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUBLYPDEF2TZVP-2819.06653376; Eh
Login required27-Sep-2021SCO_SO_HighSpin_3_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUBLYPDEF2TZVP-2803.71769118; Eh
Login required27-Sep-2021SCO_SO_LowSpin_3_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUBLYPDEF2TZVP-2736.83591602; Eh
Login required27-Sep-2021SCO_SO_LowSpin_2_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUBLYPDEF2TZVP-1969.26365308; Eh
Login required27-Sep-2021SCO_SO_LowSpin_1_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUBLYPDEF2TZVP-1814.71200351; Eh
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