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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_7_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_8_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Optimized_Structures Center_of_Cluster_4_(R)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB2PLYP-FCDEF2TZV-1407.07254703; Eh
thumbnail.jpeg26-Nov-2021/Optimized_Structures Center_of_Cluster_5_(R)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB2PLYP-FCDEF2TZV-1407.07492476; Eh
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