Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
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 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.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 81-90 of 119 (Search time: 0.002 seconds).