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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 Int2BVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-3226.20773723; 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 B1Villar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-651.943278985; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c4c5_cat TS2_LSGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-4796.26237686; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c4c5_cat AlGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-1569.96508434; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c4c5_cat BrGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-2574.30674557; Eh
thumbnail.jpeg22-Sep-2023Limonene_glycolVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-542.331309082; Eh
thumbnail.jpeg22-Sep-2023TBDVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-438.822315124; Eh
thumbnail.jpeg22-Sep-2023PolymerVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1851.30122802; Eh
Results 551-560 of 589 (Search time: 0.002 seconds).