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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Jan-2020TS2_PM6_tolGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPM6VSTO-6G ZDO-0.237927384456; Eh
Login required10-Jan-2020TS1_PM6_tolGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPM6VSTO-6G ZDO-0.214587867258; Eh
Login required10-Jan-2020TS2_PM7_tolGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.211273866438; Eh
Login required10-Jan-2020TS1_PM7_tolGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.190051891474; Eh
Login required10-Jan-2020TS1_PM7_pcaGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.206784738864; Eh
Login required10-Jan-2020TS2_PM7_pcaGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.237762156552; Eh
Login required10-Jan-2020ts1Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPM6VSTO-6G ZDO-0.348540700327; Eh
Login required10-Jan-2020ts2Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPM6VSTO-6G ZDO-0.379602736796; Eh
Login required10-Jan-2020ts2Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.333409097173; Eh
Login required10-Jan-2020ts1Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.298661818926; Eh
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