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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Nov-2021/Optimized_Structures Center_of_Cluster_2_(R)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB2PLYP-FCDEF2TZV-1407.07722161; Eh
thumbnail.jpeg26-Nov-2021/Optimized_Structures Molecule_(S)-2,3-allenolVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Single point Structure-DEF2TZV-1407.07476352; Eh
thumbnail.jpeg26-Nov-2021/Optimized_Structures Center_of_Cluster_0_(S)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Single point StructureRB2PLYP-FCDEF2TZV-1408.0018391; Eh
thumbnail.jpeg26-Nov-2021/Optimized_Structures Center_of_Cluster_3_(S)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Single point StructureRB2PLYP-FCDEF2TZV-1407.9984693; Eh
thumbnail.jpeg26-Nov-2021/Optimized_Structures Center_of_Cluster_8_(S)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Single point StructureRB2PLYP-FCDEF2TZV-1407.9977637; Eh
thumbnail.jpeg26-Nov-2021/Optimized_Structures Center_of_Cluster_9_(S)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Single point StructureRB2PLYP-FCDEF2TZV-1407.9985042; Eh
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_6_(S)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_7_(S)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_8_(S)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Optimized_Structures Molecule_(R)-2,3-allenolVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Single point Structure-DEF2TZV-1407.07437137; Eh
Results 21-30 of 87 (Search time: 0.001 seconds).