Browsing by Author Garay Ruiz, Diego

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Oct-2019a_alkoxideGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-3037.88878912; Eh
thumbnail.jpeg29-Oct-2019a_hemicarbGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-3226.45700511; Eh
thumbnail.jpeg29-Oct-2019am_alkoxideGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-3037.89007616; Eh
thumbnail.jpeg29-Oct-2019am_hemicarbGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-3226.45200875; Eh
thumbnail.jpeg29-Oct-2019b2_alkGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-3037.87821618; Eh
thumbnail.jpeg29-Oct-2019b2_hemicarbGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-3226.45986737; Eh
thumbnail.jpeg29-Oct-2019b_alkoxideGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-3037.88813471; Eh
thumbnail.jpeg29-Oct-2019b_hemicarbGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-3226.45181501; Eh
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
thumbnail.jpeg29-Oct-2019bromideGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-2575.60499591; 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