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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-May-20206MCC-Int2_(and_TBD-H(+))Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.01727014; Eh
thumbnail.jpeg19-May-2020TS5Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1776.01597695; Eh
thumbnail.jpeg19-May-2020TS6Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1775.99993241; Eh
thumbnail.jpeg26-Nov-2021/Optimized_Structures Molecule_(R)-2,3-allenolVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Single point Structure-DEF2TZV-1407.07437137; Eh
thumbnail.jpeg26-Nov-2021/Optimized_Structures Center_of_Cluster_6_(R)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB2PLYP-FCDEF2TZV-1407.07512313; Eh
thumbnail.jpeg26-Nov-2021/Optimized_Structures Center_of_Cluster_3_(R)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB2PLYP-FCDEF2TZV-1407.07394464; Eh
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 Center_of_Cluster_8_(R)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB2PLYP-FCDEF2TZV-1407.07387050; 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
Results 11-20 of 145 (Search time: 0.002 seconds).