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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-2021TS1_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2507.50007877; Eh
thumbnail.jpeg29-Sep-2021B_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.67216917; Eh
thumbnail.jpeg29-Sep-2021C_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.67439711; Eh
thumbnail.jpeg29-Sep-2021Reactants_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.50599312; Eh
thumbnail.jpeg29-Sep-2021TS-2A_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2278.64752428; Eh
thumbnail.jpeg29-Sep-2021TS-2A_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2278.65013713; 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
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_(R)-2,3-allenolVillar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_6_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
Results 111-120 of 167 (Search time: 0.001 seconds).