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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET VGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1512.54964304; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET V_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1512.8272557; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET I_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1265.8592791; Eh
thumbnail.jpeg19-May-20205MCC-Int_(and_TBD-H(+))Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1397.14245263; Eh
thumbnail.jpeg19-May-20206MCC-Int1_(and_TBD-H(+))Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1397.14615689; Eh
thumbnail.jpeg19-May-20205MCC-O_(and_TBD-H(+))Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1397.15501828; Eh
thumbnail.jpeg19-May-20205MCC-OH_(and_TBD)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1397.16040105; Eh
thumbnail.jpeg19-May-2020TS2_(freq)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Single point StructureRwB97XD6-311G(D,P)-1397.13542538; Eh
thumbnail.jpeg19-May-2020TS2_(opt)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1397.13542538; Eh
thumbnail.jpeg19-May-2020TS1Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1397.15098023; Eh
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