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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 d_cyc_17_34_2_x01-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4465307; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 d_cyc_34_76_2_111-10xBlancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3968235; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_34_43_2_110-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4304599; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox0 s_cyc_17_17_0_x00-x00Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8831676; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_12_43_2_x11-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3996802; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_17_34_2_x11-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4282405; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox0 s_cyc_17_43_0_x00-000Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.9383137; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 d_cyc_34_54_2_111-1x0Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3935326; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_23_34_2_011-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3852743; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox0 s_cyc_17_71_0_x00-x00Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.9160274; Eh
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