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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Sep-2021fragRR2OHeq_MP2_6-31plGdp_PCM_ener_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Single point StructureRMP2-FC6-31+G(D,P)-799.084813340; 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-2021PPantSCOMefullRR_HF_6-31Gd_enertight_optVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRHF6-31G(D)-4302.41455636; Eh
thumbnail.jpeg3-Sep-2021PPantSCOMefullSS_HF_6-31Gd_enertight_optVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRHF6-31G(D)-4302.41092922; 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-2021PPantSCOMefullSR_HF_6-31Gd_ener_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Single point MinimumRHF6-31G(D)-4302.39791516; Eh
thumbnail.jpeg3-Sep-2021PPantSCOMefullRR_HF_6-31Gd_ener_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Single point MinimumRHF6-31G(D)-4302.41455636; Eh
thumbnail.jpeg3-Sep-2021fragSS2OHeq_B3LYP_6-31plGdp_PCM_ener_opt_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P)-803.787632625; Eh
thumbnail.jpeg3-Sep-2021fragSS2OHax_B3LYP_6-31plGdp_PCM_ener_opt_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P)-803.784472117; Eh
thumbnail.jpeg3-Sep-2021fragSR2OHeq_B3LYP_6-31plGdp_PCM_ener_opt_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P)-803.789553820; Eh
Results 11-20 of 24 (Search time: 0.001 seconds).