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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Apr-2019F_radicalFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-99.7600951; Eh
thumbnail.jpeg30-Apr-2019c2FFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2498.2101897; Eh
thumbnail.jpeg30-Apr-2019TS_c2p_c3_D_secFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31G*-2497.62389047; Eh
thumbnail.jpeg30-Apr-2019TS_c2p_c3_D_priFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31G*-2497.62389047; Eh
thumbnail.jpeg30-Apr-2019Ms_c2FFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2267.0919587; Eh
thumbnail.jpeg30-Apr-2019c2_D_secFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31G*-2497.65647649; Eh
thumbnail.jpeg30-Apr-2019c2_D_priFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31G*-2497.65647649; Eh
thumbnail.jpeg30-Apr-2019c2x-pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2537.5463538; Eh
thumbnail.jpeg30-Apr-2019Ms_c4Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2267.1247567; Eh
thumbnail.jpeg30-Apr-2019c2-pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2537.5523797; Eh
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