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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-20205MCC-O_(and_TBD-H(+))Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1397.15501828; 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.jpeg11-Feb-2022/Pathway_c5c4_cat B1Villar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-651.943278985; Eh
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_1_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_5_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_2_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat TS1Villar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-4796.24961430; Eh
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_3_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
Results 51-60 of 119 (Search time: 0.001 seconds).