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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbe1pbe NButylaminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE6-31+G(D,P)-213.572593312; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbe1pbe TS2NWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE6-31+G(D,P)-848.717458367; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/pbe1pbe TS2WPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE6-31+G(D,P)-635.123110708; Eh
Login required29-Sep-2021TS-3A_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2507.48872087; Eh
Login required29-Sep-2021G_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.51455215; Eh
Login required29-Sep-2021J_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.70928219; Eh
Login required29-Sep-2021C_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.67439711; Eh
Login required29-Sep-2021I_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.68626080; Eh
Login required29-Sep-2021TS-3A_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2507.48717985; Eh
Login required29-Sep-2021EB_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.50826716; Eh
Results 161-170 of 211 (Search time: 0.001 seconds).