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Showing results 195093 to 195112 of 197638 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-May-2021MLaconsay, CroixGaussian; 16; AS64L-G16RevC.01Single point StructureRB3LYP6-31+G(D,P)-
thumbnail.jpeg6-Mar-2021M-TS0-1Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1415.64263579; Eh
thumbnail.jpeg6-Mar-2021M-TS0-2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1415.64178204; Eh
thumbnail.jpeg6-Mar-2021M-TS0-2-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1416.82060875; Eh
thumbnail.jpeg6-Mar-2021M-TS0-4-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1416.81910406; Eh
thumbnail.jpeg6-Mar-2021M-TS0_-1-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1416.81643360; Eh
thumbnail.jpeg6-Mar-2021M-TS0_-6-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1495.40342472; Eh
thumbnail.jpeg6-Mar-2021M-TS2_-3Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1415.62088337; Eh
thumbnail.jpeg6-Mar-2021M-TS2_-3-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1416.83680608; Eh
thumbnail.jpeg6-Mar-2021M-TS4-5Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1494.23303556; Eh
thumbnail.jpeg6-Mar-2021M-TS4_-5-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1416.79753305; Eh
thumbnail.jpeg6-Mar-2021M0Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1415.66992718; Eh
thumbnail.jpeg6-Mar-2021M0-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1416.84503537; Eh
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures ga_m062x_dmadG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM062X6-31G(D,P) GEN-532.859368161; Eh
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures ga_m062x_dmadprodG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM062X6-31G(D,P) SDDALL GEN-2965.84133836; Eh
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures ga_m062x_dmadtsarrG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM062X6-31G(D,P) SDDALL GEN-2965.80086548; Eh
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures m062_clusterG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM062X6-31G(D,P) SDDALL GEN-2432.93926043; Eh
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures m062_phaG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM062X6-31G(D,P) GEN-308.259205547; Eh
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures m062_pha_prod1fG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Single point StructureRM062X6-31G(D,P) SDDALL GEN-2741.22989676; Eh
thumbnail.jpeg22-Mar-2020/M062X_BS1_optimized_structures m062_pha_ts1aG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM062X6-31G(D,P) SDDALL GEN-2741.18617562; Eh