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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Oct-2020/Rh/TS_Vb_VIb MM3-29-transdistal_int-to-transcyclopropane-TSoptArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-2905.21188828; Eh
thumbnail.jpeg16-Oct-2020/Rh/Vb MM3-11-transcyclopropanation-CHD-TSopt-LESSArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/VII MM3-33-cisdistal-to-CHDprod-MOREArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/TStrans_IV__VId MM3-16-transcyclopropanation-CHD-PROXIMAL-TSoptArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-2905.18069784; Eh
thumbnail.jpeg16-Oct-2020/Rh/TS_IV_Vb MM3-10-transcyclopropanation-CHD-TSoptArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-2905.18381971; Eh
thumbnail.jpeg16-Oct-2020/Au_Cp 6a-Au-alkyneArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Au_Cp 6a-Au-alkeneArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Au_Cp TSXa-XIIaArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Au_Cp TSXb-XIbArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Au_Cp XIIbArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
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