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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Jan-2020br_anionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.135334432510; Eh
Login required10-Jan-2020br_anionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Single point TSRM062X6-311+G(D,P)-2574.34314498; Eh
Login required10-Jan-2020br_anionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Single point TSRPM6VSTO-6G ZDO-0.176011816508; Eh
Login required10-Jan-2020br_anionGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Single point TS-VSTO-6G ZDO-0.180405083024; Eh
Login required10-Jan-2020br_anionGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.146559693852; Eh
Login required10-Jan-2020br_anionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Single point TSRM062X6-311+G(D,P)-2574.30981246; Eh
Login required10-Jan-2020co2Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.136748157787; Eh
Login required10-Jan-2020co2Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-188.576513366; Eh
Login required10-Jan-2020co2Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.136085957426; Eh
Login required10-Jan-2020co2Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.134770358358; Eh
Login required10-Jan-2020co2Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-188.575173688; Eh
Login required10-Jan-2020HC_Br_M062X_pcaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-3170.23044636; Eh
Login required10-Jan-2020HC_Br_PM6_pcaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.280420448706; Eh
Login required10-Jan-2020HC_Br_PM7_pcaGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.272320108387; Eh
Login required10-Jan-2020HC_OCO2_n1_M062X_pcaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-3170.23646215; Eh
Login required10-Jan-2020HC_OCO2_n1_M062X_tolGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-3170.21675640; Eh
Login required10-Jan-2020HC_OCO2_n1_PM6_pcaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.286369386816; Eh
Login required10-Jan-2020HC_OCO2_n1_PM6_tolGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.266721812987; Eh
Login required10-Jan-2020HC_OCO2_n1_PM7_pcaGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.273837473051; Eh
Login required10-Jan-2020HC_OCO2_n1_PM7_tolGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.256255435922; Eh