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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat TS4CVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-4796.27551501; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_no_cat Int1AVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-3226.23156897; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_no_cat TS1AVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-3226.22114628; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_no_cat TS4BVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-3226.24612549; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_no_cat C1Villar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-651.985868487; Eh
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