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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Sep-2021fragSR2OHax_B3LYP_6-31plGdp_PCM_ener_opt_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P)-803.788800875; Eh
thumbnail.jpeg3-Sep-2021PPantSCOMefullRS_HF_6-31Gd_enertight_optVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRHF6-31G(D)-4302.43845045; Eh
thumbnail.jpeg3-Sep-2021fragSR2OHeq_MP2_6-31plGdp_PCM_ener_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Single point StructureRMP2-FC6-31+G(D,P)-799.088186984; Eh
thumbnail.jpeg3-Sep-2021fragSS2OHax_MP2_6-31plGdp_PCM_ener_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Single point StructureRMP2-FC6-31+G(D,P)-799.083523658; Eh
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