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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Mar-2022adduct_HCOOH-TEOASolé-Daura, AlbertGaussian; 16; EM64W-G16RevC.01Single point Minimum-6-31G(D,P)-707.646932341; Eh
Login required27-Sep-2021SCO_B3LYP_S7_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-5117.50524376; Eh
Login required27-Sep-2021SCO_B3LYP_S6_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-3114.14175826; Eh
Login required27-Sep-2021SCO_B3LYP_S18_LS_OLDVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-2832.23878577; Eh
Login required27-Sep-2021SCO_B3LYP_S16_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-2642.48468306; Eh
Login required27-Sep-2021SCO_B3LYP_S16_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-2642.48574547; Eh
Login required27-Sep-2021SCO_M06L_S2_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUM06LDEF2TZVP-4399.59381990; Eh
Login required27-Sep-2021SCO_M06L_S6_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUM06LDEF2TZVP-3113.88911759; Eh
Login required27-Sep-2021SCO_M06L_S6_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUM06LDEF2TZVP-3113.87696917; Eh
Login required27-Sep-2021SCO_M06L_S5_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUM06LDEF2TZVP-2708.78406746; Eh
Results 31-40 of 72 (Search time: 0.003 seconds).