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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_(R)-2,3-allenolVillar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Optimized_Structures Center_of_Cluster_5_(R)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB2PLYP-FCDEF2TZV-1407.07492476; Eh
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.jpeg29-Sep-2021TS5_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2507.51520490; Eh
thumbnail.jpeg29-Sep-2021K_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.71876295; Eh
thumbnail.jpeg29-Sep-2021J_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.71231544; Eh
thumbnail.jpeg29-Sep-2021G_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.51455215; Eh
thumbnail.jpeg29-Sep-2021DA_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.67899458; Eh
thumbnail.jpeg29-Sep-2021TS-2B_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2278.65359935; Eh
thumbnail.jpeg29-Sep-2021TS-2B_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2278.65584418; Eh
Results 101-110 of 135 (Search time: 0.001 seconds).