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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat TS2C_LSVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-4796.21919759; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat Int2CVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-4796.28553854; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat Int1_k2Villar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-4796.28781513; Eh
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_6_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_7_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_8_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
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
Results 71-80 of 167 (Search time: 0.002 seconds).