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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-May-2020AcImVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-378.857579692; Eh
thumbnail.jpeg19-May-20205MCC-O-2_(with_TBD-H(+)_and_AcIm)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.02135116; Eh
thumbnail.jpeg19-May-20205MCC-OAc_(with_TBD_and_Im-H)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.02885944; Eh
thumbnail.jpeg19-May-20206MCC-OAc_(with_TBD_and_Im-H)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.03950672; Eh
thumbnail.jpeg19-May-20205MCC-Int2_(and_TBD-H(+))Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.00730607; 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-20206MCC-Int2_(and_TBD-H(+))Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.01727014; 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
Results 1-10 of 63 (Search time: 0.002 seconds).