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Showing results 192722 to 192741 of 197638 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required9-Jan-2021AKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31G(D)-
thumbnail.jpeg30-Jan-2021ALaconsay, CroixGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYP6-31+G(D,P)-
Login required9-Jan-2021A-bKojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP6-31G(D)-
thumbnail.jpeg6-Mar-2021A-TS0-1Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1416.80293022; Eh
thumbnail.jpeg6-Mar-2021A-TS0-1-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1339.38953615; Eh
thumbnail.jpeg6-Mar-2021A-TS0-3-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1339.39017145; Eh
thumbnail.jpeg6-Mar-2021A-TS1-2-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1339.40955501; Eh
thumbnail.jpeg6-Mar-2021A-TS1_-2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1416.81777902; Eh
thumbnail.jpeg6-Mar-2021A-TS3-8-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1339.40993123; Eh
thumbnail.jpeg6-Mar-2021A-TS3_-4-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1339.40721174; Eh
thumbnail.jpeg6-Mar-2021A-TS5-6-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1418.00374863; Eh
thumbnail.jpeg6-Mar-2021A-TS6_-7-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1418.01871106; Eh
thumbnail.jpeg6-Mar-2021A0Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1416.81336562; Eh
thumbnail.jpeg6-Mar-2021A0-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1339.39562201; Eh
thumbnail.jpeg6-Mar-2021A1Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1416.84616664; Eh
thumbnail.jpeg6-Mar-2021A1-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1339.43136153; Eh
thumbnail.jpeg6-Mar-2021A1_Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1416.83569158; Eh
thumbnail.jpeg6-Mar-2021A2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1416.85632565; Eh
thumbnail.jpeg6-Mar-2021A2-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1339.46006701; Eh
thumbnail.jpeg6-Mar-2021A3-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1339.43255760; Eh