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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/Rh/TS_VI_VII MM4-4-RhCope-E2Styryl-TSoptArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-2905.20674028; Eh
thumbnail.jpeg16-Oct-2020/Rh/Rh Rh2TFA4Armengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-2323.96839904; Eh
thumbnail.jpeg16-Oct-2020/Rh/IV__cis MM3-7-ciscyclopropanation-CHD-TSopt-LESSArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
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/IV_cis MM3-18-cis-distal-TS-MOREArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/FreeCopes/TS_3a__3a MM2-10-cisdivinyl-to-CHDprod-min-TS-optArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/FreeCopes/TS_3x__3x MM2-17-cisCOD-to-CHDCOD-min-TS-optArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
thumbnail.jpeg16-Oct-2020/Rh/FreeCopes/TS_3r__3r MM2-58-CpCycloprop-to-CHD-TS-optArmengol i Relats, HelenaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPGENECP-
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