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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Oct-2020/Rh/FreeCopes/3u_ MM2-68-H4butadiene-ciscycloprop_optfreqArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/FreeCopes/TS_3t__3t MM2-72-cisCHD-to-CHDCHD-TSoptArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/FreeCopes/3x MM2-21-cisCOD-to-CHDCOD-TSdef--lessArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/FreeCopes/3r_ MM2-56-CpCycloprop_min-optfreqArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/FreeCopes/3i_ MM2-55-MeOIGfromCHD_TS-lessArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/FreeCopes/3w MM2-25-Me4CHD_optfreqArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/FreeCopes/TS_3s__3s MM2-64-cisdivinylM4Cp-to-Me4CHD_TS_optfreqArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/FreeCopes/TS_3i__3i MM2-54-MeOIGfromCHD-maxstep5_TSoptArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/FreeCopes/3a MM2-11-cisdivinyl-to-CHDprod-TSdef-moreArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/FreeCopes/3t MM2-73-cisCHD-to-CHDCHD-TS-TS-lessArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
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