Browsing by Subject 2D-NMR

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Showing results 21 to 24 of 24 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Sep-2021PPantSCOMefullSR_HF_6-31Gd_ener_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Single point MinimumRHF6-31G(D)-4302.39791516; Eh
thumbnail.jpeg3-Sep-2021PPantSCOMefullSR_HF_6-31Gd_enertight_optVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRHF6-31G(D)-4302.39791516; Eh
thumbnail.jpeg3-Sep-2021PPantSCOMefullSS_HF_6-31Gd_ener_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Single point StructureRHF6-31G(D)-4302.41092922; Eh
thumbnail.jpeg3-Sep-2021PPantSCOMefullSS_HF_6-31Gd_enertight_optVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRHF6-31G(D)-4302.41092922; Eh