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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Feb-2022/Pathway_c4c5_cat TS1Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-4796.24961430; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat Int2C_LigVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-4796.29495808; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat TS2C-SLVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-4796.22175989; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat B1_AlVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-2221.94449429; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c4c5_nocat Int6AGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-3226.22893903; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c4c5_nocat TS6AGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-3226.22126574; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c4c5_nocat C1Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-651.985868487; Eh
thumbnail.jpeg4-Oct-2021L_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.54394479; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c4c5_nocat Int2AGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-3226.23377729; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c4c5_nocat Int5AGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-3226.25086535; Eh
Results 2781-2790 of 3111 (Search time: 0.004 seconds).